6-carbamoyl-2-methylidenecyclohex-3-ene-1-carboxylic acid

C9H11NO3 — CID 141096213

IUPAC6-carbamoyl-2-methylidenecyclohex-3-ene-1-carboxylic acid
SMILESC=C1C=CCC(C(N)=O)C1C(=O)O
InChIInChI=1S/C9H11NO3/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-3,6-7H,1,4H2,(H2,10,11)(H,12,13)
InChIKeyHLEUVRLVRGETNV-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.30
Rot. Bonds2

About 6-carbamoyl-2-methylidenecyclohex-3-ene-1-carboxylic acid

6-carbamoyl-2-methylidenecyclohex-3-ene-1-carboxylic acid (PubChem CID 141096213) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 6-carbamoyl-2-methylidenecyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-carbamoyl-2-methylidenecyclohex-3-ene-1-carboxylic acid
PubChem CID141096213
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name6-carbamoyl-2-methylidenecyclohex-3-ene-1-carboxylic acid
SMILESC=C1C=CCC(C(N)=O)C1C(=O)O
InChIInChI=1S/C9H11NO3/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-3,6-7H,1,4H2,(H2,10,11)(H,12,13)
InChIKeyHLEUVRLVRGETNV-UHFFFAOYSA-N
XLogP0.30
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,6R)-6-carbamoylcyclohex-3-ene-1-carboxylic acid
CID 70124852
(2R)-cyclohex-4-ene-1,2-dicarboxylic acid
CID 59116144
trans-(1R,2R)-2-carbamoylcyclopropane-1-carboxylic acid
CID 13039560
cis-(1R,2S)-2-carbamoylcyclopropane-1-carboxylic acid
CID 93311791
calcium;cyclohex-4-ene-1,2-dicarboxylic acid;hydride
CID 175524215
(1S,6S)-6-aminocyclohex-3-ene-1-carboxylic acid
CID 7015734
(1R,6S)-6-aminocyclohex-3-ene-1-carboxylic acid;hydrochloride
CID 2734694
2,3-dihydroxycyclopentane-1-carboxamide
CID 23103466
2-N-ethylcyclohex-4-ene-1,2-dicarboxamide
CID 123699570
cyclohexa-2,5-diene-1,4-dione;prop-2-enoic acid
CID 67642756
(1R,6R)-7,7-dimethyl-2-methylidenebicyclo[4.1.1]oct-3-ene
CID 98164415
(2S)-6-oxo-2,3-dihydro-1H-pyridine-2-carboxylic acid
CID 15233514

Frequently Asked Questions

What is the IUPAC name of 6-carbamoyl-2-methylidenecyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-carbamoyl-2-methylidenecyclohex-3-ene-1-carboxylic acid (CID 141096213) is 6-carbamoyl-2-methylidenecyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-carbamoyl-2-methylidenecyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-carbamoyl-2-methylidenecyclohex-3-ene-1-carboxylic acid is C=C1C=CCC(C(N)=O)C1C(=O)O.
What is the InChIKey of 6-carbamoyl-2-methylidenecyclohex-3-ene-1-carboxylic acid?
The InChIKey is HLEUVRLVRGETNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-5-3-2-4-6(8(10)11)7(5)9(12)13/h2-3,6-7H,1,4H2,(H2,10,11)(H,12,13).
What are the key properties of 6-carbamoyl-2-methylidenecyclohex-3-ene-1-carboxylic acid?
6-carbamoyl-2-methylidenecyclohex-3-ene-1-carboxylic acid has a molecular weight of 181.19 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbamoyl-2-methylidenecyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 141096213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).