2-methyl-2-(4-methylpent-3-enyl)cyclopropane-1-carboxamide

C11H19NO — CID 23115930

IUPAC2-methyl-2-(4-methylpent-3-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=CCCC1(C)CC1C(N)=O
InChIInChI=1S/C11H19NO/c1-8(2)5-4-6-11(3)7-9(11)10(12)13/h5,9H,4,6-7H2,1-3H3,(H2,12,13)
InChIKeyXZJKHOOCHHVRKO-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.24
Rot. Bonds4

About 2-methyl-2-(4-methylpent-3-enyl)cyclopropane-1-carboxamide

2-methyl-2-(4-methylpent-3-enyl)cyclopropane-1-carboxamide (PubChem CID 23115930) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-methyl-2-(4-methylpent-3-enyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-2-(4-methylpent-3-enyl)cyclopropane-1-carboxamide
PubChem CID23115930
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-methyl-2-(4-methylpent-3-enyl)cyclopropane-1-carboxamide
SMILESCC(C)=CCCC1(C)CC1C(N)=O
InChIInChI=1S/C11H19NO/c1-8(2)5-4-6-11(3)7-9(11)10(12)13/h5,9H,4,6-7H2,1-3H3,(H2,12,13)
InChIKeyXZJKHOOCHHVRKO-UHFFFAOYSA-N
XLogP2.24
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.24
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

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CID 206763
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3,7-Dimethyl-6-octenamide
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2-[(1R)-2,6,6-trimethyl-5-oxocyclohex-2-en-1-yl]acetamide
CID 101413759
2-[(1S)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]acetamide
CID 131168921
3-(3,7-Dimethyl-7-bicyclo[4.1.0]hept-2-enyl)propanamide
CID 163192795
(s)-(-)-Citronellamide
CID 57428030
2-(6-Cyclopropyl-4-fluoro-2-propan-2-ylcyclohexa-2,4-dien-1-yl)acetamide
CID 169687323
2-(Cyclohex-1-en-1-yl)butanamide
CID 294647
(2S,3S,E)-2,3-dimethylhex-4-enamide
CID 133668685
2-(2,2,3-Trimethylcyclopent-3-en-1-yl)acetamide
CID 316196
2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarbohydroxamic acid
CID 579267

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-methylpent-3-enyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-2-(4-methylpent-3-enyl)cyclopropane-1-carboxamide (CID 23115930) is 2-methyl-2-(4-methylpent-3-enyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-2-(4-methylpent-3-enyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-2-(4-methylpent-3-enyl)cyclopropane-1-carboxamide is CC(C)=CCCC1(C)CC1C(N)=O.
What is the InChIKey of 2-methyl-2-(4-methylpent-3-enyl)cyclopropane-1-carboxamide?
The InChIKey is XZJKHOOCHHVRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(2)5-4-6-11(3)7-9(11)10(12)13/h5,9H,4,6-7H2,1-3H3,(H2,12,13).
What are the key properties of 2-methyl-2-(4-methylpent-3-enyl)cyclopropane-1-carboxamide?
2-methyl-2-(4-methylpent-3-enyl)cyclopropane-1-carboxamide has a molecular weight of 181.28 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-methylpent-3-enyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 23115930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).