N-but-3-en-2-yl-2,2-dimethylcyclopropane-1-carboxamide

C10H17NO — CID 131065377

IUPACN-but-3-en-2-yl-2,2-dimethylcyclopropane-1-carboxamide
SMILESC=CC(C)NC(=O)C1CC1(C)C
InChIInChI=1S/C10H17NO/c1-5-7(2)11-9(12)8-6-10(8,3)4/h5,7-8H,1,6H2,2-4H3,(H,11,12)
InChIKeyFDHWROCCHZIIGI-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.72
Rot. Bonds3

About N-but-3-en-2-yl-2,2-dimethylcyclopropane-1-carboxamide

N-but-3-en-2-yl-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 131065377) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-but-3-en-2-yl-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-but-3-en-2-yl-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID131065377
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-but-3-en-2-yl-2,2-dimethylcyclopropane-1-carboxamide
SMILESC=CC(C)NC(=O)C1CC1(C)C
InChIInChI=1S/C10H17NO/c1-5-7(2)11-9(12)8-6-10(8,3)4/h5,7-8H,1,6H2,2-4H3,(H,11,12)
InChIKeyFDHWROCCHZIIGI-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-but-3-en-2-yl-2,2-dimethylcyclopropane-1-carboxamide (CID 131065377) is N-but-3-en-2-yl-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-but-3-en-2-yl-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-but-3-en-2-yl-2,2-dimethylcyclopropane-1-carboxamide is C=CC(C)NC(=O)C1CC1(C)C.
What is the InChIKey of N-but-3-en-2-yl-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is FDHWROCCHZIIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-7(2)11-9(12)8-6-10(8,3)4/h5,7-8H,1,6H2,2-4H3,(H,11,12).
What are the key properties of N-but-3-en-2-yl-2,2-dimethylcyclopropane-1-carboxamide?
N-but-3-en-2-yl-2,2-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-but-3-en-2-yl-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 131065377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).