N-(3-azabicyclo[3.2.0]heptan-1-yl)-3-methylbut-2-enamide

C11H18N2O — CID 165439775

IUPACN-(3-azabicyclo[3.2.0]heptan-1-yl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NC12CCC1CNC2
InChIInChI=1S/C11H18N2O/c1-8(2)5-10(14)13-11-4-3-9(11)6-12-7-11/h5,9,12H,3-4,6-7H2,1-2H3,(H,13,14)
InChIKeyMQWXLVGBSCGXQG-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.82
Rot. Bonds2

About N-(3-azabicyclo[3.2.0]heptan-1-yl)-3-methylbut-2-enamide

N-(3-azabicyclo[3.2.0]heptan-1-yl)-3-methylbut-2-enamide (PubChem CID 165439775) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is N-(3-azabicyclo[3.2.0]heptan-1-yl)-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.2.0]heptan-1-yl)-3-methylbut-2-enamide
PubChem CID165439775
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC NameN-(3-azabicyclo[3.2.0]heptan-1-yl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NC12CCC1CNC2
InChIInChI=1S/C11H18N2O/c1-8(2)5-10(14)13-11-4-3-9(11)6-12-7-11/h5,9,12H,3-4,6-7H2,1-2H3,(H,13,14)
InChIKeyMQWXLVGBSCGXQG-UHFFFAOYSA-N
XLogP0.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-azabicyclo[3.2.0]heptan-1-yl)-3-methylbut-2-enamide 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

3-methyl-N-(1-methylcyclobutyl)but-2-enamide
CID 126972850
N-(azetidin-3-yl)-3-methylbut-2-enamide
CID 66185588
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methylbut-2-enamide
CID 62526110
tert-butyl N-(2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl)carbamate
CID 77301632
N-[(1R,5R)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide
CID 125471102
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methylbut-2-enamide
CID 115308496
N-[(1R,5S)-3-azabicyclo[3.2.0]heptan-1-yl]-6-(4-fluorophenoxy)pyridine-3-carboxamide
CID 166270764
3-methyl-N-piperidin-3-ylbut-2-enamide
CID 63321543
N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-methyl-5-oxopyrazine-2-carboxamide
CID 138011592
N-[(3aR,6aS)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]-4-oxo-1H-pyridazine-5-carboxamide
CID 154807672
N-(3,3-difluorocyclobutyl)-3-methylbut-2-enamide
CID 126994062
N-[(3aS,7aS)-5-(4-methylphenyl)sulfonyl-2,3,3a,4,6,7-hexahydro-1H-pyrrolo[3,4-c]pyridin-7a-yl]acetamide
CID 110136957

Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.2.0]heptan-1-yl)-3-methylbut-2-enamide?
The IUPAC name of N-(3-azabicyclo[3.2.0]heptan-1-yl)-3-methylbut-2-enamide (CID 165439775) is N-(3-azabicyclo[3.2.0]heptan-1-yl)-3-methylbut-2-enamide.
What is the SMILES notation for N-(3-azabicyclo[3.2.0]heptan-1-yl)-3-methylbut-2-enamide?
The canonical SMILES for N-(3-azabicyclo[3.2.0]heptan-1-yl)-3-methylbut-2-enamide is CC(C)=CC(=O)NC12CCC1CNC2.
What is the InChIKey of N-(3-azabicyclo[3.2.0]heptan-1-yl)-3-methylbut-2-enamide?
The InChIKey is MQWXLVGBSCGXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(2)5-10(14)13-11-4-3-9(11)6-12-7-11/h5,9,12H,3-4,6-7H2,1-2H3,(H,13,14).
What are the key properties of N-(3-azabicyclo[3.2.0]heptan-1-yl)-3-methylbut-2-enamide?
N-(3-azabicyclo[3.2.0]heptan-1-yl)-3-methylbut-2-enamide has a molecular weight of 194.28 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.2.0]heptan-1-yl)-3-methylbut-2-enamide is sourced from PubChem (CID 165439775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).