N-(cyclopropylmethyl)-2-ethenyl-1-ethylcyclopropane-1-carboxamide

C12H19NO — CID 58472481

IUPACN-(cyclopropylmethyl)-2-ethenyl-1-ethylcyclopropane-1-carboxamide
SMILESC=CC1CC1(CC)C(=O)NCC1CC1
InChIInChI=1S/C12H19NO/c1-3-10-7-12(10,4-2)11(14)13-8-9-5-6-9/h3,9-10H,1,4-8H2,2H3,(H,13,14)
InChIKeyZBSPDGBCUSKERB-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.11
Rot. Bonds5

About N-(cyclopropylmethyl)-2-ethenyl-1-ethylcyclopropane-1-carboxamide

N-(cyclopropylmethyl)-2-ethenyl-1-ethylcyclopropane-1-carboxamide (PubChem CID 58472481) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-ethenyl-1-ethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-ethenyl-1-ethylcyclopropane-1-carboxamide
PubChem CID58472481
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-(cyclopropylmethyl)-2-ethenyl-1-ethylcyclopropane-1-carboxamide
SMILESC=CC1CC1(CC)C(=O)NCC1CC1
InChIInChI=1S/C12H19NO/c1-3-10-7-12(10,4-2)11(14)13-8-9-5-6-9/h3,9-10H,1,4-8H2,2H3,(H,13,14)
InChIKeyZBSPDGBCUSKERB-UHFFFAOYSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.11
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

4,4-difluoro-2-methyl-N-[(1-prop-2-enylcyclopropyl)methyl]hexanamide
CID 68217130
(4R)-N-ethyl-2,4-dimethyl-4-(trifluoromethyl)hept-6-enamide
CID 169847269
Dimethyl-Vinylcaprolactam
CID 129643863
3-(2,2-dichloroethenyl)-2,2-dimethyl-N-(prop-2-en-1-yl)cyclopropanecarboxamide
CID 3114611
N-[[2-methyl-2-(4-methylpent-3-enyl)cyclopropyl]methyl]cyclopropanecarboxamide
CID 11543202
N-ethyl-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 18712264
2-(cyclopropylmethyl)-N-propan-2-ylpent-4-enamide
CID 21366319
N,2-di(propan-2-yl)hex-5-enamide
CID 21366370
(E)-2-(2,2-dimethylpropyl)-N-propan-2-ylhex-4-enamide
CID 21366381
2-(2,2-dimethylpropyl)-N-propan-2-ylhex-5-enamide
CID 21366382
2-(2,2-dimethylpropyl)-N-propan-2-ylpent-4-enamide
CID 21366384
2-tert-butyl-N-propan-2-ylpent-4-enamide
CID 21366387

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-ethenyl-1-ethylcyclopropane-1-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-ethenyl-1-ethylcyclopropane-1-carboxamide (CID 58472481) is N-(cyclopropylmethyl)-2-ethenyl-1-ethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-ethenyl-1-ethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-ethenyl-1-ethylcyclopropane-1-carboxamide is C=CC1CC1(CC)C(=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-ethenyl-1-ethylcyclopropane-1-carboxamide?
The InChIKey is ZBSPDGBCUSKERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-10-7-12(10,4-2)11(14)13-8-9-5-6-9/h3,9-10H,1,4-8H2,2H3,(H,13,14).
What are the key properties of N-(cyclopropylmethyl)-2-ethenyl-1-ethylcyclopropane-1-carboxamide?
N-(cyclopropylmethyl)-2-ethenyl-1-ethylcyclopropane-1-carboxamide has a molecular weight of 193.29 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-ethenyl-1-ethylcyclopropane-1-carboxamide is sourced from PubChem (CID 58472481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).