(Z)-1-[4-[(E)-4-aminohex-2-en-3-yl]-6-chloro-3-pyridinyl]but-1-en-1-ol

C15H21ClN2O — CID 165117840

IUPAC(Z)-1-[4-[(E)-4-aminohex-2-en-3-yl]-6-chloro-3-pyridinyl]but-1-en-1-ol
SMILESC/C=C(\c1cc(Cl)ncc1/C(O)=C/CC)C(N)CC
InChIInChI=1S/C15H21ClN2O/c1-4-7-14(19)12-9-18-15(16)8-11(12)10(5-2)13(17)6-3/h5,7-9,13,19H,4,6,17H2,1-3H3/b10-5+,14-7-
InChIKeySNJPPMOTIYNYOC-WIEIUUMRSA-N
MW280.80 g/mol
LogP4.18
Rot. Bonds5

About (Z)-1-[4-[(E)-4-aminohex-2-en-3-yl]-6-chloro-3-pyridinyl]but-1-en-1-ol

(Z)-1-[4-[(E)-4-aminohex-2-en-3-yl]-6-chloro-3-pyridinyl]but-1-en-1-ol (PubChem CID 165117840) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is (Z)-1-[4-[(E)-4-aminohex-2-en-3-yl]-6-chloro-3-pyridinyl]but-1-en-1-ol.

Molecular Properties

Compound Name(Z)-1-[4-[(E)-4-aminohex-2-en-3-yl]-6-chloro-3-pyridinyl]but-1-en-1-ol
PubChem CID165117840
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name(Z)-1-[4-[(E)-4-aminohex-2-en-3-yl]-6-chloro-3-pyridinyl]but-1-en-1-ol
SMILESC/C=C(\c1cc(Cl)ncc1/C(O)=C/CC)C(N)CC
InChIInChI=1S/C15H21ClN2O/c1-4-7-14(19)12-9-18-15(16)8-11(12)10(5-2)13(17)6-3/h5,7-9,13,19H,4,6,17H2,1-3H3/b10-5+,14-7-
InChIKeySNJPPMOTIYNYOC-WIEIUUMRSA-N
XLogP4.18
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze (Z)-1-[4-[(E)-4-aminohex-2-en-3-yl]-6-chloro-3-pyridinyl]but-1-en-1-ol with MolForge

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Related Compounds

2,4-dichloro-5-[(Z)-1-ethoxybut-1-enyl]pyridine
CID 144735710
2-chloro-5-[(Z)-1-ethoxybut-1-enyl]-N-methylpyridin-4-amine
CID 134484591
6-chloro-4-ethoxycarbonylpyridine-3-carboxylic acid
CID 163257477
2-(2,5-dichloropyridine-4-carbonyl)butanoic acid
CID 89312309
6-chloro-4-(2-methylpropanoyl)pyridine-3-carboxylic acid
CID 156538639
5-[(Z)-1-(azetidin-3-yloxy)but-1-enyl]-4-[(E)-1-bromoprop-1-enyl]-2-chloropyridine
CID 165117467
(1R)-1-(6-chloro-4-methyl-3-pyridinyl)propan-1-amine
CID 55273612
ethyl 5-carbonochloridoyl-2-chloropyridine-4-carboxylate
CID 163257915
2-amino-3-(4,6-dichloro-3-pyridinyl)propanoic acid
CID 130041515
5-[(1S)-1-aminoethyl]-2-chloropyridine-4-carboxamide
CID 130727934
(E)-3-[2-chloro-5-(1-chloroethenyl)-4-pyridinyl]-2-methylpent-3-en-2-amine
CID 165117862
5-chloro-2-methyl-3-[(Z)-4-methylhex-2-en-3-yl]pyridine
CID 146393573

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[4-[(E)-4-aminohex-2-en-3-yl]-6-chloro-3-pyridinyl]but-1-en-1-ol?
The IUPAC name of (Z)-1-[4-[(E)-4-aminohex-2-en-3-yl]-6-chloro-3-pyridinyl]but-1-en-1-ol (CID 165117840) is (Z)-1-[4-[(E)-4-aminohex-2-en-3-yl]-6-chloro-3-pyridinyl]but-1-en-1-ol.
What is the SMILES notation for (Z)-1-[4-[(E)-4-aminohex-2-en-3-yl]-6-chloro-3-pyridinyl]but-1-en-1-ol?
The canonical SMILES for (Z)-1-[4-[(E)-4-aminohex-2-en-3-yl]-6-chloro-3-pyridinyl]but-1-en-1-ol is C/C=C(\c1cc(Cl)ncc1/C(O)=C/CC)C(N)CC.
What is the InChIKey of (Z)-1-[4-[(E)-4-aminohex-2-en-3-yl]-6-chloro-3-pyridinyl]but-1-en-1-ol?
The InChIKey is SNJPPMOTIYNYOC-WIEIUUMRSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-4-7-14(19)12-9-18-15(16)8-11(12)10(5-2)13(17)6-3/h5,7-9,13,19H,4,6,17H2,1-3H3/b10-5+,14-7-.
What are the key properties of (Z)-1-[4-[(E)-4-aminohex-2-en-3-yl]-6-chloro-3-pyridinyl]but-1-en-1-ol?
(Z)-1-[4-[(E)-4-aminohex-2-en-3-yl]-6-chloro-3-pyridinyl]but-1-en-1-ol has a molecular weight of 280.80 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[4-[(E)-4-aminohex-2-en-3-yl]-6-chloro-3-pyridinyl]but-1-en-1-ol is sourced from PubChem (CID 165117840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).