2-[bis(prop-2-enyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid

C14H21NO3 — CID 114390269

IUPAC2-[bis(prop-2-enyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESC=CCN(CC=C)C(=O)C1CC(C)CC1C(=O)O
InChIInChI=1S/C14H21NO3/c1-4-6-15(7-5-2)13(16)11-8-10(3)9-12(11)14(17)18/h4-5,10-12H,1-2,6-9H2,3H3,(H,17,18)
InChIKeySCQPLGZUXQQENE-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.93
Rot. Bonds6

About 2-[bis(prop-2-enyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid

2-[bis(prop-2-enyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid (PubChem CID 114390269) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[bis(prop-2-enyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[bis(prop-2-enyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
PubChem CID114390269
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-[bis(prop-2-enyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
SMILESC=CCN(CC=C)C(=O)C1CC(C)CC1C(=O)O
InChIInChI=1S/C14H21NO3/c1-4-6-15(7-5-2)13(16)11-8-10(3)9-12(11)14(17)18/h4-5,10-12H,1-2,6-9H2,3H3,(H,17,18)
InChIKeySCQPLGZUXQQENE-UHFFFAOYSA-N
XLogP1.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(4-Methylpiperidine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 2862553
cis-(1R,2S)-4-methyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 105633787
cis-(1R,2S)-2-[butyl(2,2,2-trifluoroethyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 105635723
cis-(1R,2S)-4-methyl-2-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 105635727
cis-(1R,2S)-4-methyl-2-[2-methylpropyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 105635791
cis-(1R,2S)-2-[2,2-difluoroethyl(methyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 105642313
cis-(1R,2S)-4-methyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 105642993
4-Methyl-2-[methyl(3,3,3-trifluoropropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 113578709
cis-(1R,2S)-2-[ethyl(2,2,2-trifluoroethyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114092147
cis-(1R,2S)-4-methyl-2-[methyl(3,3,3-trifluoropropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114092497
4-Methyl-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114390507
2-[Butyl(2,2,2-trifluoroethyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390674

Frequently Asked Questions

What is the IUPAC name of 2-[bis(prop-2-enyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[bis(prop-2-enyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid (CID 114390269) is 2-[bis(prop-2-enyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[bis(prop-2-enyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[bis(prop-2-enyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid is C=CCN(CC=C)C(=O)C1CC(C)CC1C(=O)O.
What is the InChIKey of 2-[bis(prop-2-enyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is SCQPLGZUXQQENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-6-15(7-5-2)13(16)11-8-10(3)9-12(11)14(17)18/h4-5,10-12H,1-2,6-9H2,3H3,(H,17,18).
What are the key properties of 2-[bis(prop-2-enyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid?
2-[bis(prop-2-enyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 251.33 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(prop-2-enyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114390269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).