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

C10H17NO — CID 14414985

IUPAC2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(N)=O)C1(C)C
InChIInChI=1S/C10H17NO/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H2,11,12)
InChIKeyGFXSLQNAAAQQSB-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.71
Rot. Bonds2

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

2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (PubChem CID 14414985) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
PubChem CID14414985
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=CC1C(C(N)=O)C1(C)C
InChIInChI=1S/C10H17NO/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H2,11,12)
InChIKeyGFXSLQNAAAQQSB-UHFFFAOYSA-N
XLogP1.71
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.71
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 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide (CID 14414985) is 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is CC(C)=CC1C(C(N)=O)C1(C)C.
What is the InChIKey of 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
The InChIKey is GFXSLQNAAAQQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3,(H2,11,12).
What are the key properties of 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide?
2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide has a molecular weight of 167.25 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 14414985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).