(E)-N-(azepan-4-yl)pent-2-enamide;hydrochloride

C11H21ClN2O — CID 131245624

IUPAC(E)-N-(azepan-4-yl)pent-2-enamide;hydrochloride
SMILESCC/C=C/C(=O)NC1CCCNCC1.Cl
InChIInChI=1S/C11H20N2O.ClH/c1-2-3-6-11(14)13-10-5-4-8-12-9-7-10;/h3,6,10,12H,2,4-5,7-9H2,1H3,(H,13,14);1H/b6-3+;
InChIKeyZSRCBSBLVQAGLU-ZIKNSQGESA-N
MW232.75 g/mol
LogP1.63
Rot. Bonds3

About (E)-N-(azepan-4-yl)pent-2-enamide;hydrochloride

(E)-N-(azepan-4-yl)pent-2-enamide;hydrochloride (PubChem CID 131245624) has the molecular formula C11H21ClN2O and a molecular weight of 232.75 g/mol. Its IUPAC name is (E)-N-(azepan-4-yl)pent-2-enamide;hydrochloride.

Molecular Properties

Compound Name(E)-N-(azepan-4-yl)pent-2-enamide;hydrochloride
PubChem CID131245624
Molecular FormulaC11H21ClN2O
Molecular Weight232.75 g/mol
Exact Mass232.13
IUPAC Name(E)-N-(azepan-4-yl)pent-2-enamide;hydrochloride
SMILESCC/C=C/C(=O)NC1CCCNCC1.Cl
InChIInChI=1S/C11H20N2O.ClH/c1-2-3-6-11(14)13-10-5-4-8-12-9-7-10;/h3,6,10,12H,2,4-5,7-9H2,1H3,(H,13,14);1H/b6-3+;
InChIKeyZSRCBSBLVQAGLU-ZIKNSQGESA-N
XLogP1.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-(azepan-4-yl)pent-2-enamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-4-(dimethylamino)-N-[(3S)-piperidin-3-yl]but-2-enamide
CID 163525562
N-(azepan-4-yl)prop-2-enamide
CID 107172224
N-(azepan-4-yl)dodecanamide
CID 105060891
(E)-4-[methyl(prop-2-ynyl)amino]-N-[(3S)-piperidin-3-yl]but-2-enamide
CID 178118725
(E)-4-bromo-N-cyclopentylbut-2-enamide
CID 153266331
N-(azepan-4-yl)-4-methylpentanamide
CID 105059595
N-[(3S)-pyrrolidin-3-yl]but-2-enamide
CID 79688217
N-piperidin-4-ylhexanamide;hydrochloride
CID 47002713
N-(azepan-4-yl)but-2-ynamide
CID 107990995
3-methyl-N-piperidin-3-ylbut-2-enamide
CID 63321543
N-(azepan-4-yl)-3-propoxypropanamide
CID 107172337
3-amino-N-(azepan-4-yl)butanamide
CID 130643383

Frequently Asked Questions

What is the IUPAC name of (E)-N-(azepan-4-yl)pent-2-enamide;hydrochloride?
The IUPAC name of (E)-N-(azepan-4-yl)pent-2-enamide;hydrochloride (CID 131245624) is (E)-N-(azepan-4-yl)pent-2-enamide;hydrochloride.
What is the SMILES notation for (E)-N-(azepan-4-yl)pent-2-enamide;hydrochloride?
The canonical SMILES for (E)-N-(azepan-4-yl)pent-2-enamide;hydrochloride is CC/C=C/C(=O)NC1CCCNCC1.Cl.
What is the InChIKey of (E)-N-(azepan-4-yl)pent-2-enamide;hydrochloride?
The InChIKey is ZSRCBSBLVQAGLU-ZIKNSQGESA-N. The full InChI is InChI=1S/C11H20N2O.ClH/c1-2-3-6-11(14)13-10-5-4-8-12-9-7-10;/h3,6,10,12H,2,4-5,7-9H2,1H3,(H,13,14);1H/b6-3+;.
What are the key properties of (E)-N-(azepan-4-yl)pent-2-enamide;hydrochloride?
(E)-N-(azepan-4-yl)pent-2-enamide;hydrochloride has a molecular weight of 232.75 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(azepan-4-yl)pent-2-enamide;hydrochloride is sourced from PubChem (CID 131245624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).