N-ethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

C12H21NO — CID 18712264

IUPACN-ethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCCNC(=O)C1C(C=C(C)C)C1(C)C
InChIInChI=1S/C12H21NO/c1-6-13-11(14)10-9(7-8(2)3)12(10,4)5/h7,9-10H,6H2,1-5H3,(H,13,14)
InChIKeyWIZHVBMRUPOJNW-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.36
Rot. Bonds3

About N-ethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide

N-ethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 18712264) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID18712264
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-ethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCCNC(=O)C1C(C=C(C)C)C1(C)C
InChIInChI=1S/C12H21NO/c1-6-13-11(14)10-9(7-8(2)3)12(10,4)5/h7,9-10H,6H2,1-5H3,(H,13,14)
InChIKeyWIZHVBMRUPOJNW-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of N-ethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 18712264) is N-ethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-ethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-ethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is CCNC(=O)C1C(C=C(C)C)C1(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is WIZHVBMRUPOJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-6-13-11(14)10-9(7-8(2)3)12(10,4)5/h7,9-10H,6H2,1-5H3,(H,13,14).
What are the key properties of N-ethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
N-ethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 195.31 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 18712264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).