N-(3-aminocyclobutyl)pent-4-enamide

C9H16N2O — CID 62677212

IUPACN-(3-aminocyclobutyl)pent-4-enamide
SMILESC=CCCC(=O)NC1CC(N)C1
InChIInChI=1S/C9H16N2O/c1-2-3-4-9(12)11-8-5-7(10)6-8/h2,7-8H,1,3-6,10H2,(H,11,12)
InChIKeyMXVLPCFPZGPSGN-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.56
Rot. Bonds4

About N-(3-aminocyclobutyl)pent-4-enamide

N-(3-aminocyclobutyl)pent-4-enamide (PubChem CID 62677212) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-(3-aminocyclobutyl)pent-4-enamide.

Molecular Properties

Compound NameN-(3-aminocyclobutyl)pent-4-enamide
PubChem CID62677212
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-(3-aminocyclobutyl)pent-4-enamide
SMILESC=CCCC(=O)NC1CC(N)C1
InChIInChI=1S/C9H16N2O/c1-2-3-4-9(12)11-8-5-7(10)6-8/h2,7-8H,1,3-6,10H2,(H,11,12)
InChIKeyMXVLPCFPZGPSGN-UHFFFAOYSA-N
XLogP0.56
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.56
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-(4-aminocyclohexyl)hex-5-enamide
CID 119478568
N-[4-(methylamino)cyclohexyl]pent-4-enamide
CID 79110901
N-piperidin-4-ylpent-4-enamide
CID 62679298
4-amino-N-(3-amino-5-methylcyclohexyl)butanamide
CID 143974251
N-(8-azabicyclo[3.2.1]octan-3-yl)hex-5-enamide
CID 119459100
3-[(3-aminocyclobutyl)amino]-N-cyclopropylpropanamide
CID 80562214
N-[(3R)-1-(cyclopentylmethyl)pyrrolidin-3-yl]pent-4-enamide
CID 96568508
1-(3-aminocyclohexyl)pent-4-en-1-one
CID 116568806
N-(3-aminocyclobutyl)-3-pyridin-4-ylpropanamide
CID 114289940
[(2R,3S,4R,5R,6R)-3,4-diacetyloxy-6-chloro-5-(pent-4-enoylamino)oxan-2-yl]methyl acetate
CID 10811287
N-carbamoylpent-4-enamide
CID 152780678
N-(3-aminocyclobutyl)-3-phenoxypropanamide
CID 43595119

Frequently Asked Questions

What is the IUPAC name of N-(3-aminocyclobutyl)pent-4-enamide?
The IUPAC name of N-(3-aminocyclobutyl)pent-4-enamide (CID 62677212) is N-(3-aminocyclobutyl)pent-4-enamide.
What is the SMILES notation for N-(3-aminocyclobutyl)pent-4-enamide?
The canonical SMILES for N-(3-aminocyclobutyl)pent-4-enamide is C=CCCC(=O)NC1CC(N)C1.
What is the InChIKey of N-(3-aminocyclobutyl)pent-4-enamide?
The InChIKey is MXVLPCFPZGPSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-3-4-9(12)11-8-5-7(10)6-8/h2,7-8H,1,3-6,10H2,(H,11,12).
What are the key properties of N-(3-aminocyclobutyl)pent-4-enamide?
N-(3-aminocyclobutyl)pent-4-enamide has a molecular weight of 168.24 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminocyclobutyl)pent-4-enamide is sourced from PubChem (CID 62677212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).