2-ethenyl-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide

C14H25NO — CID 15032156

IUPAC2-ethenyl-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide
SMILESC=CC1CC1C(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C14H25NO/c1-7-10-8-11(10)12(16)15-14(5,6)9-13(2,3)4/h7,10-11H,1,8-9H2,2-6H3,(H,15,16)
InChIKeyNQYVBYVFUIVTPT-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.14
Rot. Bonds4

About 2-ethenyl-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide

2-ethenyl-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide (PubChem CID 15032156) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-ethenyl-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-ethenyl-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide
PubChem CID15032156
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-ethenyl-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide
SMILESC=CC1CC1C(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C14H25NO/c1-7-10-8-11(10)12(16)15-14(5,6)9-13(2,3)4/h7,10-11H,1,8-9H2,2-6H3,(H,15,16)
InChIKeyNQYVBYVFUIVTPT-UHFFFAOYSA-N
XLogP3.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.14
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

N-tert-butyl-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarboxamide
CID 2852201
N-tert-Butyl-2,2-dimethylpent-4-enamide
CID 71378995
N-tert-butylhex-5-enamide
CID 15640339
N-tert-butyl-3,3-dimethylpent-4-enamide
CID 16663762
N-tert-butyl-2-[(2-methylcyclopropyl)methyl]pent-4-enamide
CID 20790183
N-tert-butyl-2-(2-methylprop-2-enyl)hex-5-enamide
CID 20790186
N-tert-butyl-4-methyl-2-prop-2-enylpent-4-enamide
CID 20790194
(E)-N-tert-butyl-2-(cyclopropylmethyl)hex-4-enamide
CID 20790231
N-tert-butyl-2-(cyclopropylmethyl)pent-4-enamide
CID 20790233
N-tert-butyl-2-propan-2-ylhex-5-enamide
CID 20790240
N-tert-butyl-2-propan-2-ylpent-4-enamide
CID 20790242
(E)-N-tert-butyl-2-(2,2-dimethylpropyl)hex-4-enamide
CID 20790245

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-ethenyl-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide (CID 15032156) is 2-ethenyl-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-ethenyl-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-ethenyl-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide is C=CC1CC1C(=O)NC(C)(C)CC(C)(C)C.
What is the InChIKey of 2-ethenyl-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is NQYVBYVFUIVTPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-7-10-8-11(10)12(16)15-14(5,6)9-13(2,3)4/h7,10-11H,1,8-9H2,2-6H3,(H,15,16).
What are the key properties of 2-ethenyl-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide?
2-ethenyl-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 223.36 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-N-(2,4,4-trimethylpentan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 15032156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).