N-[(E)-but-2-enyl]-3-methylbicyclo[1.1.0]butane-1-carboxamide

C10H15NO — CID 178010275

IUPACN-[(E)-but-2-enyl]-3-methylbicyclo[1.1.0]butane-1-carboxamide
SMILESC/C=C/CNC(=O)C12CC1(C)C2
InChIInChI=1S/C10H15NO/c1-3-4-5-11-8(12)10-6-9(10,2)7-10/h3-4H,5-7H2,1-2H3,(H,11,12)/b4-3+
InChIKeyIOOQRBJXGFNSFW-ONEGZZNKSA-N
MW165.24 g/mol
LogP1.48
Rot. Bonds3

About N-[(E)-but-2-enyl]-3-methylbicyclo[1.1.0]butane-1-carboxamide

N-[(E)-but-2-enyl]-3-methylbicyclo[1.1.0]butane-1-carboxamide (PubChem CID 178010275) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-3-methylbicyclo[1.1.0]butane-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-3-methylbicyclo[1.1.0]butane-1-carboxamide
PubChem CID178010275
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-[(E)-but-2-enyl]-3-methylbicyclo[1.1.0]butane-1-carboxamide
SMILESC/C=C/CNC(=O)C12CC1(C)C2
InChIInChI=1S/C10H15NO/c1-3-4-5-11-8(12)10-6-9(10,2)7-10/h3-4H,5-7H2,1-2H3,(H,11,12)/b4-3+
InChIKeyIOOQRBJXGFNSFW-ONEGZZNKSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-but-2-enyl]-2,2-difluorospiro[2.2]pentane-1-carboxamide
CID 178011639
2-cyclopropyl-N-prop-2-enylpropanamide
CID 79505886
4,4-dimethyl-N-prop-2-enylpentanamide
CID 117851385
N-[(E)-but-2-enyl]-2,2,4,4-tetramethylpentanamide
CID 145537580
N-[(E)-but-2-enyl]-2,2-dimethylpentanamide
CID 146310993
N-[(Z)-but-2-enyl]-2-cyclopropylacetamide
CID 152451387
N-[(E)-but-2-enyl]spiro[2.2]pentane-2-carboxamide
CID 178010260
N-[(E)-but-2-enyl]-2-cyclopropylpropanamide;ethane
CID 178010319
N-[(E)-but-2-enyl]-2-cyclopropylpropanamide
CID 178010320
N-[(E)-but-2-enyl]-3-methylbicyclo[1.1.0]butane-1-carboxamide;ethane
CID 178010421
N-[(E)-but-2-enyl]-1,2-dimethylcyclopropane-1-carboxamide;ethane
CID 178010423
N-[(E)-but-2-enyl]-1,2-dimethylcyclopropane-1-carboxamide
CID 178010424

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-3-methylbicyclo[1.1.0]butane-1-carboxamide?
The IUPAC name of N-[(E)-but-2-enyl]-3-methylbicyclo[1.1.0]butane-1-carboxamide (CID 178010275) is N-[(E)-but-2-enyl]-3-methylbicyclo[1.1.0]butane-1-carboxamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-3-methylbicyclo[1.1.0]butane-1-carboxamide?
The canonical SMILES for N-[(E)-but-2-enyl]-3-methylbicyclo[1.1.0]butane-1-carboxamide is C/C=C/CNC(=O)C12CC1(C)C2.
What is the InChIKey of N-[(E)-but-2-enyl]-3-methylbicyclo[1.1.0]butane-1-carboxamide?
The InChIKey is IOOQRBJXGFNSFW-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-4-5-11-8(12)10-6-9(10,2)7-10/h3-4H,5-7H2,1-2H3,(H,11,12)/b4-3+.
What are the key properties of N-[(E)-but-2-enyl]-3-methylbicyclo[1.1.0]butane-1-carboxamide?
N-[(E)-but-2-enyl]-3-methylbicyclo[1.1.0]butane-1-carboxamide has a molecular weight of 165.24 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-3-methylbicyclo[1.1.0]butane-1-carboxamide is sourced from PubChem (CID 178010275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).