[(1R)-2-methylcyclohex-2-en-1-yl] N-phenylcarbamate

C14H17NO2 — CID 14184691

IUPAC[(1R)-2-methylcyclohex-2-en-1-yl] N-phenylcarbamate
SMILESCC1=CCCC[C@H]1OC(=O)Nc1ccccc1
InChIInChI=1S/C14H17NO2/c1-11-7-5-6-10-13(11)17-14(16)15-12-8-3-2-4-9-12/h2-4,7-9,13H,5-6,10H2,1H3,(H,15,16)/t13-/m1/s1
InChIKeyPPCYWFICFTUQKE-CYBMUJFWSA-N
MW231.30 g/mol
LogP3.73
Rot. Bonds2

About [(1R)-2-methylcyclohex-2-en-1-yl] N-phenylcarbamate

[(1R)-2-methylcyclohex-2-en-1-yl] N-phenylcarbamate (PubChem CID 14184691) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is [(1R)-2-methylcyclohex-2-en-1-yl] N-phenylcarbamate.

Molecular Properties

Compound Name[(1R)-2-methylcyclohex-2-en-1-yl] N-phenylcarbamate
PubChem CID14184691
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name[(1R)-2-methylcyclohex-2-en-1-yl] N-phenylcarbamate
SMILESCC1=CCCC[C@H]1OC(=O)Nc1ccccc1
InChIInChI=1S/C14H17NO2/c1-11-7-5-6-10-13(11)17-14(16)15-12-8-3-2-4-9-12/h2-4,7-9,13H,5-6,10H2,1H3,(H,15,16)/t13-/m1/s1
InChIKeyPPCYWFICFTUQKE-CYBMUJFWSA-N
XLogP3.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R)-2-methylcyclohex-2-en-1-yl] N-phenylcarbamate?
The IUPAC name of [(1R)-2-methylcyclohex-2-en-1-yl] N-phenylcarbamate (CID 14184691) is [(1R)-2-methylcyclohex-2-en-1-yl] N-phenylcarbamate.
What is the SMILES notation for [(1R)-2-methylcyclohex-2-en-1-yl] N-phenylcarbamate?
The canonical SMILES for [(1R)-2-methylcyclohex-2-en-1-yl] N-phenylcarbamate is CC1=CCCC[C@H]1OC(=O)Nc1ccccc1.
What is the InChIKey of [(1R)-2-methylcyclohex-2-en-1-yl] N-phenylcarbamate?
The InChIKey is PPCYWFICFTUQKE-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17NO2/c1-11-7-5-6-10-13(11)17-14(16)15-12-8-3-2-4-9-12/h2-4,7-9,13H,5-6,10H2,1H3,(H,15,16)/t13-/m1/s1.
What are the key properties of [(1R)-2-methylcyclohex-2-en-1-yl] N-phenylcarbamate?
[(1R)-2-methylcyclohex-2-en-1-yl] N-phenylcarbamate has a molecular weight of 231.30 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-methylcyclohex-2-en-1-yl] N-phenylcarbamate is sourced from PubChem (CID 14184691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).