N-(1,3-diaminopropan-2-yl)cyclopent-3-ene-1-carboxamide

C9H17N3O — CID 89108760

IUPACN-(1,3-diaminopropan-2-yl)cyclopent-3-ene-1-carboxamide
SMILESNCC(CN)NC(=O)C1CC=CC1
InChIInChI=1S/C9H17N3O/c10-5-8(6-11)12-9(13)7-3-1-2-4-7/h1-2,7-8H,3-6,10-11H2,(H,12,13)
InChIKeyUOPMQADMAXBDRM-UHFFFAOYSA-N
MW183.25 g/mol
LogP-0.65
Rot. Bonds4

About N-(1,3-diaminopropan-2-yl)cyclopent-3-ene-1-carboxamide

N-(1,3-diaminopropan-2-yl)cyclopent-3-ene-1-carboxamide (PubChem CID 89108760) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(1,3-diaminopropan-2-yl)cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-diaminopropan-2-yl)cyclopent-3-ene-1-carboxamide
PubChem CID89108760
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-(1,3-diaminopropan-2-yl)cyclopent-3-ene-1-carboxamide
SMILESNCC(CN)NC(=O)C1CC=CC1
InChIInChI=1S/C9H17N3O/c10-5-8(6-11)12-9(13)7-3-1-2-4-7/h1-2,7-8H,3-6,10-11H2,(H,12,13)
InChIKeyUOPMQADMAXBDRM-UHFFFAOYSA-N
XLogP-0.65
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-4-(cyclopent-3-ene-1-carbonyl)-3-methylpiperazin-2-one
CID 96740616
N-[2-[cyclopent-3-ene-1-carbonyl(methyl)amino]ethyl]cyclopent-3-ene-1-carboxamide
CID 99577743
(2R,3S)-2-amino-N-butyl-3-methylpent-4-enamide
CID 134988377
N-(3-amino-2,2-difluoropropyl)cyclopent-3-ene-1-carboxamide
CID 114383367
N-(3-fluoro-3-methylcyclobutyl)cyclopent-3-ene-1-carboxamide
CID 126793748
N-cyclopent-3-en-1-yl-2-fluoro-3-methylbutanamide
CID 127000193
N-(1-fluoropropan-2-yl)cyclopent-3-ene-1-carboxamide
CID 131085838
(3R,7S,9Z,12S)-7,12-diethyl-3-methyl-1,6-diazacyclododec-9-ene-2,5-dione
CID 71759215
(3S,7S,9Z,12S)-7,12-diethyl-3-methyl-1,6-diazacyclododec-9-ene-2,5-dione
CID 71760704
1-(Cyclopent-3-ene-1-carbonyl)piperazine
CID 21184018
(E)-N,2-di(propan-2-yl)hex-4-enamide
CID 21366369
N-Ethyl-3-cyclopentene-1-carboxamide
CID 45084076

Frequently Asked Questions

What is the IUPAC name of N-(1,3-diaminopropan-2-yl)cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-(1,3-diaminopropan-2-yl)cyclopent-3-ene-1-carboxamide (CID 89108760) is N-(1,3-diaminopropan-2-yl)cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-(1,3-diaminopropan-2-yl)cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-(1,3-diaminopropan-2-yl)cyclopent-3-ene-1-carboxamide is NCC(CN)NC(=O)C1CC=CC1.
What is the InChIKey of N-(1,3-diaminopropan-2-yl)cyclopent-3-ene-1-carboxamide?
The InChIKey is UOPMQADMAXBDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c10-5-8(6-11)12-9(13)7-3-1-2-4-7/h1-2,7-8H,3-6,10-11H2,(H,12,13).
What are the key properties of N-(1,3-diaminopropan-2-yl)cyclopent-3-ene-1-carboxamide?
N-(1,3-diaminopropan-2-yl)cyclopent-3-ene-1-carboxamide has a molecular weight of 183.25 g/mol, XLogP of -0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diaminopropan-2-yl)cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 89108760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).