(1R,6S)-6-[2-(cyclohexen-1-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid

C16H23NO3 — CID 40532196

IUPAC(1R,6S)-6-[2-(cyclohexen-1-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESO=C(NCCC1=CCCCC1)[C@H]1CC=CC[C@H]1C(=O)O
InChIInChI=1S/C16H23NO3/c18-15(13-8-4-5-9-14(13)16(19)20)17-11-10-12-6-2-1-3-7-12/h4-6,13-14H,1-3,7-11H2,(H,17,18)(H,19,20)/t13-,14+/m0/s1
InChIKeyNWLRQRSFTVQEBV-UONOGXRCSA-N
MW277.36 g/mol
LogP2.66
Rot. Bonds5

About (1R,6S)-6-[2-(cyclohexen-1-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid

(1R,6S)-6-[2-(cyclohexen-1-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid (PubChem CID 40532196) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is (1R,6S)-6-[2-(cyclohexen-1-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name(1R,6S)-6-[2-(cyclohexen-1-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
PubChem CID40532196
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name(1R,6S)-6-[2-(cyclohexen-1-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
SMILESO=C(NCCC1=CCCCC1)[C@H]1CC=CC[C@H]1C(=O)O
InChIInChI=1S/C16H23NO3/c18-15(13-8-4-5-9-14(13)16(19)20)17-11-10-12-6-2-1-3-7-12/h4-6,13-14H,1-3,7-11H2,(H,17,18)(H,19,20)/t13-,14+/m0/s1
InChIKeyNWLRQRSFTVQEBV-UONOGXRCSA-N
XLogP2.66
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,2-N-bis[2-(cyclohexen-1-yl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109132739
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130626
1-N-[2-(cyclohexen-1-yl)ethyl]-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109132801
(1S,2R,3R,4S)-3-[2-(cyclohexen-1-yl)ethylcarbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98230838
N-[2-(cyclohexen-1-yl)ethyl]-4-(methylamino)oxolane-3-carboxamide
CID 66267549
(1S,2R,3S,4S)-3-[2-(cyclohexen-1-yl)ethylcarbamoyl]-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98230837
6-(2-phenylethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 2900767
1-N-[2-(cyclohexen-1-yl)ethyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144460
N-[2-(cyclohexen-1-yl)ethyl]thiane-4-carboxamide
CID 110849147
N-[2-(cyclohexen-1-yl)ethyl]-N'-(2-phenylethyl)oxamide
CID 2294960
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
6-(3-carboxypropylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 54868731

Frequently Asked Questions

What is the IUPAC name of (1R,6S)-6-[2-(cyclohexen-1-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of (1R,6S)-6-[2-(cyclohexen-1-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid (CID 40532196) is (1R,6S)-6-[2-(cyclohexen-1-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for (1R,6S)-6-[2-(cyclohexen-1-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for (1R,6S)-6-[2-(cyclohexen-1-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid is O=C(NCCC1=CCCCC1)[C@H]1CC=CC[C@H]1C(=O)O.
What is the InChIKey of (1R,6S)-6-[2-(cyclohexen-1-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid?
The InChIKey is NWLRQRSFTVQEBV-UONOGXRCSA-N. The full InChI is InChI=1S/C16H23NO3/c18-15(13-8-4-5-9-14(13)16(19)20)17-11-10-12-6-2-1-3-7-12/h4-6,13-14H,1-3,7-11H2,(H,17,18)(H,19,20)/t13-,14+/m0/s1.
What are the key properties of (1R,6S)-6-[2-(cyclohexen-1-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid?
(1R,6S)-6-[2-(cyclohexen-1-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid has a molecular weight of 277.36 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6S)-6-[2-(cyclohexen-1-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 40532196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).