(E)-6-[[(E)-1-carboxy-5-diazonio-4-hydroxypent-4-enyl]amino]-2-hydroxy-6-oxo-5-(prop-2-enylamino)hex-1-ene-1-diazonium

C15H22N6O5+2 — CID 6335940

IUPAC(E)-6-[[(E)-1-carboxy-5-diazonio-4-hydroxypent-4-enyl]amino]-2-hydroxy-6-oxo-5-(prop-2-enylamino)hex-1-ene-1-diazonium
SMILESC=CCNC(CC/C(O)=C\[N+]#N)C(=O)NC(CC/C(O)=C\[N+]#N)C(=O)O
InChIInChI=1S/C15H20N6O5/c1-2-7-18-12(5-3-10(22)8-19-16)14(24)21-13(15(25)26)6-4-11(23)9-20-17/h2,8-9,12-13,18H,1,3-7H2,(H2-2,21,22,23,24,25,26)/p+2/b10-8+,11-9+
InChIKeyRCQIFJCPIWRTAF-GFULKKFKSA-P
MW366.38 g/mol
LogP1.77
Rot. Bonds12

About (E)-6-[[(E)-1-carboxy-5-diazonio-4-hydroxypent-4-enyl]amino]-2-hydroxy-6-oxo-5-(prop-2-enylamino)hex-1-ene-1-diazonium

(E)-6-[[(E)-1-carboxy-5-diazonio-4-hydroxypent-4-enyl]amino]-2-hydroxy-6-oxo-5-(prop-2-enylamino)hex-1-ene-1-diazonium (PubChem CID 6335940) has the molecular formula C15H22N6O5+2 and a molecular weight of 366.38 g/mol. Its IUPAC name is (E)-6-[[(E)-1-carboxy-5-diazonio-4-hydroxypent-4-enyl]amino]-2-hydroxy-6-oxo-5-(prop-2-enylamino)hex-1-ene-1-diazonium.

Molecular Properties

Compound Name(E)-6-[[(E)-1-carboxy-5-diazonio-4-hydroxypent-4-enyl]amino]-2-hydroxy-6-oxo-5-(prop-2-enylamino)hex-1-ene-1-diazonium
PubChem CID6335940
Molecular FormulaC15H22N6O5+2
Molecular Weight366.38 g/mol
Exact Mass366.16
IUPAC Name(E)-6-[[(E)-1-carboxy-5-diazonio-4-hydroxypent-4-enyl]amino]-2-hydroxy-6-oxo-5-(prop-2-enylamino)hex-1-ene-1-diazonium
SMILESC=CCNC(CC/C(O)=C\[N+]#N)C(=O)NC(CC/C(O)=C\[N+]#N)C(=O)O
InChIInChI=1S/C15H20N6O5/c1-2-7-18-12(5-3-10(22)8-19-16)14(24)21-13(15(25)26)6-4-11(23)9-20-17/h2,8-9,12-13,18H,1,3-7H2,(H2-2,21,22,23,24,25,26)/p+2/b10-8+,11-9+
InChIKeyRCQIFJCPIWRTAF-GFULKKFKSA-P
XLogP1.77
TPSA175.19 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 51.77
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E)-6-[[(E)-1-carboxy-5-diazonio-4-hydroxypent-4-enyl]amino]-2-hydroxy-6-oxo-5-(prop-2-enylamino)hex-1-ene-1-diazonium with MolForge

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Launch Full Analysis

Related Compounds

(6Z)-6-diazo-2-[[(6Z)-6-diazo-5-oxo-2-(prop-2-enylamino)hexanoyl]amino]-5-oxohexanoic acid;hydrate
CID 135611806
(2S)-2-(prop-2-enylamino)-3-sulfanylpropanoic acid
CID 87666603
6-amino-2-(prop-2-enylamino)hexanoic acid
CID 87168024
(2S)-2-[[(2S)-4-carboxy-2-[[(2S)-3-carboxy-2-[11-(prop-2-enylamino)undecanoylamino]propanoyl]amino]butanoyl]amino]butanedioic acid
CID 102066557
4-oxo-3-(prop-2-enylamino)pentanoic acid
CID 82322653
N-propan-2-yl-2-(prop-2-enylamino)propanamide
CID 43084813
5-amino-2-(but-3-enoylamino)-5-oxopentanoic acid
CID 62685356
(2S)-2-(prop-2-enoylamino)pentanedioic acid;hydrate
CID 171060630
2-methylidene-3-(prop-2-enylamino)pentanoic acid
CID 88667334
2-[[4-carboxy-2-(2-methylpropanoylamino)butanoyl]amino]pentanedioic acid
CID 140657577
(2R)-2-[[(2S)-2-formamidopent-4-enoyl]amino]pent-4-enoic acid
CID 89064359
N-pentan-2-yl-2-(prop-2-enylamino)propanamide
CID 43113010

Frequently Asked Questions

What is the IUPAC name of (E)-6-[[(E)-1-carboxy-5-diazonio-4-hydroxypent-4-enyl]amino]-2-hydroxy-6-oxo-5-(prop-2-enylamino)hex-1-ene-1-diazonium?
The IUPAC name of (E)-6-[[(E)-1-carboxy-5-diazonio-4-hydroxypent-4-enyl]amino]-2-hydroxy-6-oxo-5-(prop-2-enylamino)hex-1-ene-1-diazonium (CID 6335940) is (E)-6-[[(E)-1-carboxy-5-diazonio-4-hydroxypent-4-enyl]amino]-2-hydroxy-6-oxo-5-(prop-2-enylamino)hex-1-ene-1-diazonium.
What is the SMILES notation for (E)-6-[[(E)-1-carboxy-5-diazonio-4-hydroxypent-4-enyl]amino]-2-hydroxy-6-oxo-5-(prop-2-enylamino)hex-1-ene-1-diazonium?
The canonical SMILES for (E)-6-[[(E)-1-carboxy-5-diazonio-4-hydroxypent-4-enyl]amino]-2-hydroxy-6-oxo-5-(prop-2-enylamino)hex-1-ene-1-diazonium is C=CCNC(CC/C(O)=C\[N+]#N)C(=O)NC(CC/C(O)=C\[N+]#N)C(=O)O.
What is the InChIKey of (E)-6-[[(E)-1-carboxy-5-diazonio-4-hydroxypent-4-enyl]amino]-2-hydroxy-6-oxo-5-(prop-2-enylamino)hex-1-ene-1-diazonium?
The InChIKey is RCQIFJCPIWRTAF-GFULKKFKSA-P. The full InChI is InChI=1S/C15H20N6O5/c1-2-7-18-12(5-3-10(22)8-19-16)14(24)21-13(15(25)26)6-4-11(23)9-20-17/h2,8-9,12-13,18H,1,3-7H2,(H2-2,21,22,23,24,25,26)/p+2/b10-8+,11-9+.
What are the key properties of (E)-6-[[(E)-1-carboxy-5-diazonio-4-hydroxypent-4-enyl]amino]-2-hydroxy-6-oxo-5-(prop-2-enylamino)hex-1-ene-1-diazonium?
(E)-6-[[(E)-1-carboxy-5-diazonio-4-hydroxypent-4-enyl]amino]-2-hydroxy-6-oxo-5-(prop-2-enylamino)hex-1-ene-1-diazonium has a molecular weight of 366.38 g/mol, XLogP of 1.77, 12 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-[[(E)-1-carboxy-5-diazonio-4-hydroxypent-4-enyl]amino]-2-hydroxy-6-oxo-5-(prop-2-enylamino)hex-1-ene-1-diazonium is sourced from PubChem (CID 6335940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).