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

C10H17NO — CID 178010424

IUPACN-[(E)-but-2-enyl]-1,2-dimethylcyclopropane-1-carboxamide
SMILESC/C=C/CNC(=O)C1(C)CC1C
InChIInChI=1S/C10H17NO/c1-4-5-6-11-9(12)10(3)7-8(10)2/h4-5,8H,6-7H2,1-3H3,(H,11,12)/b5-4+
InChIKeyDHHAPTOVNNDJNQ-SNAWJCMRSA-N
MW167.25 g/mol
LogP1.72
Rot. Bonds3

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

N-[(E)-but-2-enyl]-1,2-dimethylcyclopropane-1-carboxamide (PubChem CID 178010424) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-1,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-1,2-dimethylcyclopropane-1-carboxamide
PubChem CID178010424
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-[(E)-but-2-enyl]-1,2-dimethylcyclopropane-1-carboxamide
SMILESC/C=C/CNC(=O)C1(C)CC1C
InChIInChI=1S/C10H17NO/c1-4-5-6-11-9(12)10(3)7-8(10)2/h4-5,8H,6-7H2,1-3H3,(H,11,12)/b5-4+
InChIKeyDHHAPTOVNNDJNQ-SNAWJCMRSA-N
XLogP1.72
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.72
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
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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
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(2S)-2,4-dimethyl-N-prop-2-enylpentanamide
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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
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CID 88560556

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-1,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-[(E)-but-2-enyl]-1,2-dimethylcyclopropane-1-carboxamide (CID 178010424) is N-[(E)-but-2-enyl]-1,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-1,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(E)-but-2-enyl]-1,2-dimethylcyclopropane-1-carboxamide is C/C=C/CNC(=O)C1(C)CC1C.
What is the InChIKey of N-[(E)-but-2-enyl]-1,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is DHHAPTOVNNDJNQ-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-5-6-11-9(12)10(3)7-8(10)2/h4-5,8H,6-7H2,1-3H3,(H,11,12)/b5-4+.
What are the key properties of N-[(E)-but-2-enyl]-1,2-dimethylcyclopropane-1-carboxamide?
N-[(E)-but-2-enyl]-1,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 167.25 g/mol, XLogP of 1.72, 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 is sourced from PubChem (CID 178010424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).