3-[bis(prop-2-enyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

C13H19NO3 — CID 64837646

IUPAC3-[bis(prop-2-enyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESC=CCN(CC=C)C(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C13H19NO3/c1-5-7-14(8-6-2)11(15)9-10(12(16)17)13(9,3)4/h5-6,9-10H,1-2,7-8H2,3-4H3,(H,16,17)
InChIKeyPFJCEDMTCWAPOT-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.54
Rot. Bonds6

About 3-[bis(prop-2-enyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

3-[bis(prop-2-enyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 64837646) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[bis(prop-2-enyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-[bis(prop-2-enyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID64837646
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-[bis(prop-2-enyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESC=CCN(CC=C)C(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C13H19NO3/c1-5-7-14(8-6-2)11(15)9-10(12(16)17)13(9,3)4/h5-6,9-10H,1-2,7-8H2,3-4H3,(H,16,17)
InChIKeyPFJCEDMTCWAPOT-UHFFFAOYSA-N
XLogP1.54
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.54
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

2-[bis(prop-2-enyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390269
cis-(1R,3S)-3-[(2-methoxy-2-oxoethyl)-propylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114091969
2-[(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-prop-2-enylamino]acetic acid
CID 102629017
(Z)-2-[bis(prop-2-enyl)amino]but-2-enedioic acid
CID 87691672
3-[butan-2-yl(methyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64837451
cis-(1S,2R)-2-[bis(prop-2-enyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 7040089
2-[ethyl(prop-2-enyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114391246
3-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 114948610
3-[butan-2-yl(ethyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64837642
(1S,6R)-6-[bis(prop-2-enyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104961983
(3S)-3-carboxy-2,2-dimethylcyclopropane-1-carboxylate
CID 59116134
3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64835221

Frequently Asked Questions

What is the IUPAC name of 3-[bis(prop-2-enyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-[bis(prop-2-enyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (CID 64837646) is 3-[bis(prop-2-enyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-[bis(prop-2-enyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-[bis(prop-2-enyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is C=CCN(CC=C)C(=O)C1C(C(=O)O)C1(C)C.
What is the InChIKey of 3-[bis(prop-2-enyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is PFJCEDMTCWAPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-5-7-14(8-6-2)11(15)9-10(12(16)17)13(9,3)4/h5-6,9-10H,1-2,7-8H2,3-4H3,(H,16,17).
What are the key properties of 3-[bis(prop-2-enyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
3-[bis(prop-2-enyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 237.30 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(prop-2-enyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 64837646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).