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

C12H21NO — CID 178010421

IUPACN-[(E)-but-2-enyl]-3-methylbicyclo[1.1.0]butane-1-carboxamide;ethane
SMILESC/C=C/CNC(=O)C12CC1(C)C2.CC
InChIInChI=1S/C10H15NO.C2H6/c1-3-4-5-11-8(12)10-6-9(10,2)7-10;1-2/h3-4H,5-7H2,1-2H3,(H,11,12);1-2H3/b4-3+;
InChIKeyFPYKUKLCZJWUOX-BJILWQEISA-N
MW195.31 g/mol
LogP2.51
Rot. Bonds3

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

N-[(E)-but-2-enyl]-3-methylbicyclo[1.1.0]butane-1-carboxamide;ethane (PubChem CID 178010421) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-3-methylbicyclo[1.1.0]butane-1-carboxamide;ethane.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-3-methylbicyclo[1.1.0]butane-1-carboxamide;ethane
PubChem CID178010421
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-[(E)-but-2-enyl]-3-methylbicyclo[1.1.0]butane-1-carboxamide;ethane
SMILESC/C=C/CNC(=O)C12CC1(C)C2.CC
InChIInChI=1S/C10H15NO.C2H6/c1-3-4-5-11-8(12)10-6-9(10,2)7-10;1-2/h3-4H,5-7H2,1-2H3,(H,11,12);1-2H3/b4-3+;
InChIKeyFPYKUKLCZJWUOX-BJILWQEISA-N
XLogP2.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.51
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

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
2-tert-butyl-2,4,4-trimethyl-N-prop-2-enylpentanamide
CID 156569078
2,2,4-trimethyl-N-prop-2-enylpentanamide
CID 166713850
N-[(E)-but-2-enyl]spiro[2.2]pentane-2-carboxamide
CID 178010260
N-[(E)-but-2-enyl]-3-methylbicyclo[1.1.0]butane-1-carboxamide
CID 178010275
N-[(E)-but-2-enyl]cyclobutanecarboxamide;ethane
CID 178010302
N-[(E)-but-2-enyl]-2-cyclopropylpropanamide;ethane
CID 178010319
N-[(E)-but-2-enyl]-2-cyclopropylpropanamide
CID 178010320
N-[(E)-but-2-enyl]-1,2-dimethylcyclopropane-1-carboxamide;ethane
CID 178010423

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-3-methylbicyclo[1.1.0]butane-1-carboxamide;ethane?
The IUPAC name of N-[(E)-but-2-enyl]-3-methylbicyclo[1.1.0]butane-1-carboxamide;ethane (CID 178010421) is N-[(E)-but-2-enyl]-3-methylbicyclo[1.1.0]butane-1-carboxamide;ethane.
What is the SMILES notation for N-[(E)-but-2-enyl]-3-methylbicyclo[1.1.0]butane-1-carboxamide;ethane?
The canonical SMILES for N-[(E)-but-2-enyl]-3-methylbicyclo[1.1.0]butane-1-carboxamide;ethane is C/C=C/CNC(=O)C12CC1(C)C2.CC.
What is the InChIKey of N-[(E)-but-2-enyl]-3-methylbicyclo[1.1.0]butane-1-carboxamide;ethane?
The InChIKey is FPYKUKLCZJWUOX-BJILWQEISA-N. The full InChI is InChI=1S/C10H15NO.C2H6/c1-3-4-5-11-8(12)10-6-9(10,2)7-10;1-2/h3-4H,5-7H2,1-2H3,(H,11,12);1-2H3/b4-3+;.
What are the key properties of N-[(E)-but-2-enyl]-3-methylbicyclo[1.1.0]butane-1-carboxamide;ethane?
N-[(E)-but-2-enyl]-3-methylbicyclo[1.1.0]butane-1-carboxamide;ethane has a molecular weight of 195.31 g/mol, XLogP of 2.51, 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;ethane is sourced from PubChem (CID 178010421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).