(Z)-N-(2-oxoazepan-3-yl)pent-3-enamide

C11H18N2O2 — CID 143446170

IUPAC(Z)-N-(2-oxoazepan-3-yl)pent-3-enamide
SMILESC/C=C\CC(=O)NC1CCCCNC1=O
InChIInChI=1S/C11H18N2O2/c1-2-3-7-10(14)13-9-6-4-5-8-12-11(9)15/h2-3,9H,4-8H2,1H3,(H,12,15)(H,13,14)/b3-2-
InChIKeyQNMKTKZDXBAWJN-IHWYPQMZSA-N
MW210.28 g/mol
LogP0.74
Rot. Bonds3

About (Z)-N-(2-oxoazepan-3-yl)pent-3-enamide

(Z)-N-(2-oxoazepan-3-yl)pent-3-enamide (PubChem CID 143446170) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (Z)-N-(2-oxoazepan-3-yl)pent-3-enamide.

Molecular Properties

Compound Name(Z)-N-(2-oxoazepan-3-yl)pent-3-enamide
PubChem CID143446170
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(Z)-N-(2-oxoazepan-3-yl)pent-3-enamide
SMILESC/C=C\CC(=O)NC1CCCCNC1=O
InChIInChI=1S/C11H18N2O2/c1-2-3-7-10(14)13-9-6-4-5-8-12-11(9)15/h2-3,9H,4-8H2,1H3,(H,12,15)(H,13,14)/b3-2-
InChIKeyQNMKTKZDXBAWJN-IHWYPQMZSA-N
XLogP0.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S)-2-oxoazepan-3-yl]octadecanamide
CID 11246417
4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid
CID 6930772
6-amino-N-(2-oxoazepan-3-yl)hexanamide
CID 43704092
N-(2-oxopiperidin-3-yl)butanamide
CID 62054699
(Z)-N-[(1S)-2-oxocyclopentyl]pent-3-enamide
CID 138638911
2-(4-methylpiperazin-1-yl)-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 95280745
6-oxo-6-[(2-oxopiperidin-3-yl)amino]hexanoic acid
CID 55033636
3-cyclopentyl-N-(2-oxopiperidin-3-yl)propanamide
CID 47478331
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
N-(2-oxopiperidin-3-yl)-3-sulfanylpropanamide
CID 107027904
N-(2-oxoazepan-3-yl)-2-pyrrolidin-2-ylacetamide
CID 61364815
2-(2-methoxyethoxy)-N-(2-oxoazepan-3-yl)acetamide
CID 103614914

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-oxoazepan-3-yl)pent-3-enamide?
The IUPAC name of (Z)-N-(2-oxoazepan-3-yl)pent-3-enamide (CID 143446170) is (Z)-N-(2-oxoazepan-3-yl)pent-3-enamide.
What is the SMILES notation for (Z)-N-(2-oxoazepan-3-yl)pent-3-enamide?
The canonical SMILES for (Z)-N-(2-oxoazepan-3-yl)pent-3-enamide is C/C=C\CC(=O)NC1CCCCNC1=O.
What is the InChIKey of (Z)-N-(2-oxoazepan-3-yl)pent-3-enamide?
The InChIKey is QNMKTKZDXBAWJN-IHWYPQMZSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-2-3-7-10(14)13-9-6-4-5-8-12-11(9)15/h2-3,9H,4-8H2,1H3,(H,12,15)(H,13,14)/b3-2-.
What are the key properties of (Z)-N-(2-oxoazepan-3-yl)pent-3-enamide?
(Z)-N-(2-oxoazepan-3-yl)pent-3-enamide has a molecular weight of 210.28 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-oxoazepan-3-yl)pent-3-enamide is sourced from PubChem (CID 143446170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).