N-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]pent-4-enamide

C15H26N2O — CID 96568508

IUPACN-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]pent-4-enamide
SMILESC=CCCC(=O)N[C@@H]1CCN(CC2CCCC2)C1
InChIInChI=1S/C15H26N2O/c1-2-3-8-15(18)16-14-9-10-17(12-14)11-13-6-4-5-7-13/h2,13-14H,1,3-12H2,(H,16,18)/t14-/m1/s1
InChIKeyKNVLHMZWYXNAGS-CQSZACIVSA-N
MW250.39 g/mol
LogP2.33
Rot. Bonds6

About N-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]pent-4-enamide

N-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]pent-4-enamide (PubChem CID 96568508) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]pent-4-enamide.

Molecular Properties

Compound NameN-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]pent-4-enamide
PubChem CID96568508
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]pent-4-enamide
SMILESC=CCCC(=O)N[C@@H]1CCN(CC2CCCC2)C1
InChIInChI=1S/C15H26N2O/c1-2-3-8-15(18)16-14-9-10-17(12-14)11-13-6-4-5-7-13/h2,13-14H,1,3-12H2,(H,16,18)/t14-/m1/s1
InChIKeyKNVLHMZWYXNAGS-CQSZACIVSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.33
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

N-[1-(cyclohexylmethyl)piperidin-3-yl]-3-morpholin-4-ylpropanamide
CID 45205353
N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 71867658
N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxypiperidine-1-carboxamide
CID 111508901
ethyl 4-[[(3S)-1-(cyclopentylmethyl)pyrrolidin-3-yl]amino]piperidine-1-carboxylate
CID 97337654
N-[1-(cyclopentylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 155975778
N-(3-aminocyclobutyl)pent-4-enamide
CID 62677212
N-[4-(methylamino)cyclohexyl]pent-4-enamide
CID 79110901
N-[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]pent-4-enamide
CID 45236984
N-piperidin-4-ylpent-4-enamide
CID 62679298
N-[(3S)-1-(cyclopropylmethyl)pyrrolidin-3-yl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 95307373
N-[1-(cyclopentylmethyl)pyrrolidin-3-yl]-3-hydroxy-3-(1-hydroxycyclobutyl)cyclobutane-1-carboxamide
CID 167806185
N-[1-(cyclopentylmethyl)piperidin-4-yl]-3-phenoxypropanamide
CID 166191503

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]pent-4-enamide?
The IUPAC name of N-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]pent-4-enamide (CID 96568508) is N-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]pent-4-enamide.
What is the SMILES notation for N-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]pent-4-enamide?
The canonical SMILES for N-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]pent-4-enamide is C=CCCC(=O)N[C@@H]1CCN(CC2CCCC2)C1.
What is the InChIKey of N-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]pent-4-enamide?
The InChIKey is KNVLHMZWYXNAGS-CQSZACIVSA-N. The full InChI is InChI=1S/C15H26N2O/c1-2-3-8-15(18)16-14-9-10-17(12-14)11-13-6-4-5-7-13/h2,13-14H,1,3-12H2,(H,16,18)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]pent-4-enamide?
N-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]pent-4-enamide has a molecular weight of 250.39 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]pent-4-enamide is sourced from PubChem (CID 96568508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).