N-[(E)-but-2-enyl]-2-cyclopropylpropanamide;ethane

C12H23NO — CID 178010319

IUPACN-[(E)-but-2-enyl]-2-cyclopropylpropanamide;ethane
SMILESC/C=C/CNC(=O)C(C)C1CC1.CC
InChIInChI=1S/C10H17NO.C2H6/c1-3-4-7-11-10(12)8(2)9-5-6-9;1-2/h3-4,8-9H,5-7H2,1-2H3,(H,11,12);1-2H3/b4-3+;
InChIKeyRUXPVPACRAKPTJ-BJILWQEISA-N
MW197.32 g/mol
LogP2.75
Rot. Bonds4

About N-[(E)-but-2-enyl]-2-cyclopropylpropanamide;ethane

N-[(E)-but-2-enyl]-2-cyclopropylpropanamide;ethane (PubChem CID 178010319) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-2-cyclopropylpropanamide;ethane.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-2-cyclopropylpropanamide;ethane
PubChem CID178010319
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-[(E)-but-2-enyl]-2-cyclopropylpropanamide;ethane
SMILESC/C=C/CNC(=O)C(C)C1CC1.CC
InChIInChI=1S/C10H17NO.C2H6/c1-3-4-7-11-10(12)8(2)9-5-6-9;1-2/h3-4,8-9H,5-7H2,1-2H3,(H,11,12);1-2H3/b4-3+;
InChIKeyRUXPVPACRAKPTJ-BJILWQEISA-N
XLogP2.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.75
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

Valeramide, N-allyl-2-propyl-
CID 211203
N-[(E)-but-2-enyl]-2-cyclopropyl-2,2-difluoroacetamide;ethane
CID 178011026
2,2-difluoro-3-methyl-N-prop-2-enylcyclopropane-1-carboxamide
CID 131176141
N-[(E)-but-2-enyl]-2-fluoro-2-methylpentanamide
CID 178010246
N-[(E)-but-2-enyl]-2-cyclopropyl-2,2-difluoroacetamide
CID 178011027
N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-2-methylcyclopropane-1-carboxamide
CID 11499637
3-methyl-N-[(E)-pent-2-enyl]pentanamide
CID 20667372
2,3-dimethyl-N-prop-2-enylbutanamide
CID 22946325
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylcyclopropane-1-carboxamide
CID 23115924
N-butyl-2-methylhex-5-enamide
CID 53962429
(2S)-2,4-dimethyl-N-prop-2-enylpentanamide
CID 59955315
N-(3,7-dimethylocta-2,6-dienyl)-2-methylcyclopropane-1-carboxamide
CID 68855405

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-2-cyclopropylpropanamide;ethane?
The IUPAC name of N-[(E)-but-2-enyl]-2-cyclopropylpropanamide;ethane (CID 178010319) is N-[(E)-but-2-enyl]-2-cyclopropylpropanamide;ethane.
What is the SMILES notation for N-[(E)-but-2-enyl]-2-cyclopropylpropanamide;ethane?
The canonical SMILES for N-[(E)-but-2-enyl]-2-cyclopropylpropanamide;ethane is C/C=C/CNC(=O)C(C)C1CC1.CC.
What is the InChIKey of N-[(E)-but-2-enyl]-2-cyclopropylpropanamide;ethane?
The InChIKey is RUXPVPACRAKPTJ-BJILWQEISA-N. The full InChI is InChI=1S/C10H17NO.C2H6/c1-3-4-7-11-10(12)8(2)9-5-6-9;1-2/h3-4,8-9H,5-7H2,1-2H3,(H,11,12);1-2H3/b4-3+;.
What are the key properties of N-[(E)-but-2-enyl]-2-cyclopropylpropanamide;ethane?
N-[(E)-but-2-enyl]-2-cyclopropylpropanamide;ethane has a molecular weight of 197.32 g/mol, XLogP of 2.75, 4 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]-2-cyclopropylpropanamide;ethane is sourced from PubChem (CID 178010319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).