N-[(E)-but-2-enyl]-1,2-dimethylcyclopropane-1-carboxamide;ethane

C12H23NO — CID 178010423

IUPACN-[(E)-but-2-enyl]-1,2-dimethylcyclopropane-1-carboxamide;ethane
SMILESC/C=C/CNC(=O)C1(C)CC1C.CC
InChIInChI=1S/C10H17NO.C2H6/c1-4-5-6-11-9(12)10(3)7-8(10)2;1-2/h4-5,8H,6-7H2,1-3H3,(H,11,12);1-2H3/b5-4+;
InChIKeyKQNZPFXHWWOERE-FXRZFVDSSA-N
MW197.32 g/mol
LogP2.75
Rot. Bonds3

About N-[(E)-but-2-enyl]-1,2-dimethylcyclopropane-1-carboxamide;ethane

N-[(E)-but-2-enyl]-1,2-dimethylcyclopropane-1-carboxamide;ethane (PubChem CID 178010423) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-1,2-dimethylcyclopropane-1-carboxamide;ethane.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-1,2-dimethylcyclopropane-1-carboxamide;ethane
PubChem CID178010423
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC NameN-[(E)-but-2-enyl]-1,2-dimethylcyclopropane-1-carboxamide;ethane
SMILESC/C=C/CNC(=O)C1(C)CC1C.CC
InChIInChI=1S/C10H17NO.C2H6/c1-4-5-6-11-9(12)10(3)7-8(10)2;1-2/h4-5,8H,6-7H2,1-3H3,(H,11,12);1-2H3/b5-4+;
InChIKeyKQNZPFXHWWOERE-FXRZFVDSSA-N
XLogP2.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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
N-[(E)-but-2-enyl]-2-fluoro-2-methylpentanamide
CID 178010246
N-[(E)-but-2-enyl]-2-cyclopropyl-2,2-difluoroacetamide
CID 178011027
N-ethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 18712264
N-(cyclopropylmethyl)-2-ethenyl-1-ethylcyclopropane-1-carboxamide
CID 58472481
(2S)-2,4-dimethyl-N-prop-2-enylpentanamide
CID 59955315
N-(4,4-dimethylpent-2-enyl)-4,4-dimethylpentanamide
CID 60067725
N-(3-hydroxyprop-2-enyl)-1,2,2,3-tetramethylcyclopropane-1-carboxamide
CID 68499230
2-cyclopropyl-N-prop-2-enylpropanamide
CID 79505886
2,3-dimethyl-2-propan-2-yl-N-prop-2-enylbutanamide
CID 87898027
2-tert-butyl-4,4-dimethyl-N-prop-2-enylpentanamide
CID 88560556

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-1,2-dimethylcyclopropane-1-carboxamide;ethane?
The IUPAC name of N-[(E)-but-2-enyl]-1,2-dimethylcyclopropane-1-carboxamide;ethane (CID 178010423) is N-[(E)-but-2-enyl]-1,2-dimethylcyclopropane-1-carboxamide;ethane.
What is the SMILES notation for N-[(E)-but-2-enyl]-1,2-dimethylcyclopropane-1-carboxamide;ethane?
The canonical SMILES for N-[(E)-but-2-enyl]-1,2-dimethylcyclopropane-1-carboxamide;ethane is C/C=C/CNC(=O)C1(C)CC1C.CC.
What is the InChIKey of N-[(E)-but-2-enyl]-1,2-dimethylcyclopropane-1-carboxamide;ethane?
The InChIKey is KQNZPFXHWWOERE-FXRZFVDSSA-N. The full InChI is InChI=1S/C10H17NO.C2H6/c1-4-5-6-11-9(12)10(3)7-8(10)2;1-2/h4-5,8H,6-7H2,1-3H3,(H,11,12);1-2H3/b5-4+;.
What are the key properties of N-[(E)-but-2-enyl]-1,2-dimethylcyclopropane-1-carboxamide;ethane?
N-[(E)-but-2-enyl]-1,2-dimethylcyclopropane-1-carboxamide;ethane has a molecular weight of 197.32 g/mol, XLogP of 2.75, 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]-1,2-dimethylcyclopropane-1-carboxamide;ethane is sourced from PubChem (CID 178010423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).