N-(6-methylhept-5-en-2-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride

C14H27ClN2O — CID 11971597

IUPACN-(6-methylhept-5-en-2-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride
SMILESCC(C)=CCCC(C)NC(=O)CN1CCCC1.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-12(2)7-6-8-13(3)15-14(17)11-16-9-4-5-10-16;/h7,13H,4-6,8-11H2,1-3H3,(H,15,17);1H
InChIKeyMVVKRQIJHPFQIG-UHFFFAOYSA-N
MW274.84 g/mol
LogP2.76
Rot. Bonds6

About N-(6-methylhept-5-en-2-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride

N-(6-methylhept-5-en-2-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride (PubChem CID 11971597) has the molecular formula C14H27ClN2O and a molecular weight of 274.84 g/mol. Its IUPAC name is N-(6-methylhept-5-en-2-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(6-methylhept-5-en-2-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride
PubChem CID11971597
Molecular FormulaC14H27ClN2O
Molecular Weight274.84 g/mol
Exact Mass274.18
IUPAC NameN-(6-methylhept-5-en-2-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride
SMILESCC(C)=CCCC(C)NC(=O)CN1CCCC1.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-12(2)7-6-8-13(3)15-14(17)11-16-9-4-5-10-16;/h7,13H,4-6,8-11H2,1-3H3,(H,15,17);1H
InChIKeyMVVKRQIJHPFQIG-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.84
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-Methylprop-1-enyl)-2-oxopyrrolidin-1-yl]butanamide
CID 9942648
1-[(2S)-2-methylpyrrolidin-1-yl]-2-[[(4E)-6,6,6-trifluoro-5-methylhexa-1,4-dien-2-yl]amino]ethanone
CID 169850646
N-((1-(2-Cyclohexylideneethyl)-2-pyrrolidinyl)methyl)acetamide
CID 3024074
N-(1,5-Dimethyl-4-hexenyl)-N-methyl-2-(pyrrolidinyl)acetamide hydrochloride
CID 11971595
(2E,6E,10E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenamide
CID 14129838
(2E,6E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11-trimethyldodeca-2,6,10-trienamide
CID 21297990
(2E,6E,10E,14E)-N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenamide
CID 21298047
N-[(1-ethylpyrrolidin-2-yl)methyl]-3,7,11-trimethyldodeca-2,6,10-trienamide
CID 54034355
2-(Cyclohex-3-en-1-ylamino)-1-pyrrolidin-1-ylethanone
CID 54362150
2-(3,7,11,15-Tetramethyl-2,6,10,14-hexadecatetraenoylaminomethyl)-1-ethylpyrrolidine
CID 54541457
(3R,6S,8Z,10aR)-6-(tert-butylamino)-3-methyl-2,3,6,7,10,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-5-one
CID 57612819
(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 57812282

Frequently Asked Questions

What is the IUPAC name of N-(6-methylhept-5-en-2-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride?
The IUPAC name of N-(6-methylhept-5-en-2-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride (CID 11971597) is N-(6-methylhept-5-en-2-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride.
What is the SMILES notation for N-(6-methylhept-5-en-2-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride?
The canonical SMILES for N-(6-methylhept-5-en-2-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride is CC(C)=CCCC(C)NC(=O)CN1CCCC1.Cl.
What is the InChIKey of N-(6-methylhept-5-en-2-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride?
The InChIKey is MVVKRQIJHPFQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.ClH/c1-12(2)7-6-8-13(3)15-14(17)11-16-9-4-5-10-16;/h7,13H,4-6,8-11H2,1-3H3,(H,15,17);1H.
What are the key properties of N-(6-methylhept-5-en-2-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride?
N-(6-methylhept-5-en-2-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride has a molecular weight of 274.84 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylhept-5-en-2-yl)-2-pyrrolidin-1-ylacetamide;hydrochloride is sourced from PubChem (CID 11971597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).