2-(2-iminopent-3-enoylamino)pentanediamide

C10H16N4O3 — CID 123237024

IUPAC2-(2-iminopent-3-enoylamino)pentanediamide
SMILES[H]/N=C(\C=CC)C(=O)NC(CCC(N)=O)C(N)=O
InChIInChI=1S/C10H16N4O3/c1-2-3-6(11)10(17)14-7(9(13)16)4-5-8(12)15/h2-3,7,11H,4-5H2,1H3,(H2,12,15)(H2,13,16)(H,14,17)/b3-2?,11-6+
InChIKeyXTMGQMLKKTWIKR-LMWDSAMRSA-N
MW240.26 g/mol
LogP-1.18
Rot. Bonds7

About 2-(2-iminopent-3-enoylamino)pentanediamide

2-(2-iminopent-3-enoylamino)pentanediamide (PubChem CID 123237024) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(2-iminopent-3-enoylamino)pentanediamide.

Molecular Properties

Compound Name2-(2-iminopent-3-enoylamino)pentanediamide
PubChem CID123237024
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-(2-iminopent-3-enoylamino)pentanediamide
SMILES[H]/N=C(\C=CC)C(=O)NC(CCC(N)=O)C(N)=O
InChIInChI=1S/C10H16N4O3/c1-2-3-6(11)10(17)14-7(9(13)16)4-5-8(12)15/h2-3,7,11H,4-5H2,1H3,(H2,12,15)(H2,13,16)(H,14,17)/b3-2?,11-6+
InChIKeyXTMGQMLKKTWIKR-LMWDSAMRSA-N
XLogP-1.18
TPSA139.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-1.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[(2S)-2,5-diamino-5-oxopentanoyl]-2,5-dihydropyrrole-2-carboxamide
CID 69565375
(2S)-2-amino-N-(2,5-dihydro-1H-pyrrole-2-carbonyl)pentanediamide
CID 69882285
(Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenylimino-N-methylpent-3-enamide
CID 135172470
(Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyliminopent-3-enamide
CID 135173846
(Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyliminopent-3-enamide;ethane
CID 142390396
(Z)-4-amino-N-[(2S)-1,5-diamino-1-oxopentan-2-yl]-2-methyliminopent-3-enamide
CID 145488244
(Z)-4-amino-N-(1,5-diamino-1-oxopentan-2-yl)-2-ethyliminopent-3-enamide;propane
CID 145488365
(Z)-N-(2,6-dioxopiperidin-3-yl)-N-methyl-2-methyliminopent-3-enamide
CID 155031244
N-(2,6-dioxopiperidin-3-yl)-2-oxo-3H-pyridine-6-carboxamide
CID 156502092
N-methyl-2-(methylamino)-N'-[6-(methylamino)-6-oxohex-2-enyl]pentanediamide
CID 167293042
(2S)-N,N'-dibutyl-2-[[(E)-oct-3-enoyl]amino]pentanediamide
CID 101969684
(2S)-N,N'-dibutyl-2-[[(E)-oct-4-enoyl]amino]pentanediamide
CID 101969685

Frequently Asked Questions

What is the IUPAC name of 2-(2-iminopent-3-enoylamino)pentanediamide?
The IUPAC name of 2-(2-iminopent-3-enoylamino)pentanediamide (CID 123237024) is 2-(2-iminopent-3-enoylamino)pentanediamide.
What is the SMILES notation for 2-(2-iminopent-3-enoylamino)pentanediamide?
The canonical SMILES for 2-(2-iminopent-3-enoylamino)pentanediamide is [H]/N=C(\C=CC)C(=O)NC(CCC(N)=O)C(N)=O.
What is the InChIKey of 2-(2-iminopent-3-enoylamino)pentanediamide?
The InChIKey is XTMGQMLKKTWIKR-LMWDSAMRSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-2-3-6(11)10(17)14-7(9(13)16)4-5-8(12)15/h2-3,7,11H,4-5H2,1H3,(H2,12,15)(H2,13,16)(H,14,17)/b3-2?,11-6+.
What are the key properties of 2-(2-iminopent-3-enoylamino)pentanediamide?
2-(2-iminopent-3-enoylamino)pentanediamide has a molecular weight of 240.26 g/mol, XLogP of -1.18, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iminopent-3-enoylamino)pentanediamide is sourced from PubChem (CID 123237024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).