methyl N-[6-[hydroxy(phenyl)methyl]cyclohex-3-en-1-yl]carbamate

C15H19NO3 — CID 67627322

IUPACmethyl N-[6-[hydroxy(phenyl)methyl]cyclohex-3-en-1-yl]carbamate
SMILESCOC(=O)NC1CC=CCC1C(O)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-19-15(18)16-13-10-6-5-9-12(13)14(17)11-7-3-2-4-8-11/h2-8,12-14,17H,9-10H2,1H3,(H,16,18)
InChIKeyVYQZWLRSVDBPKF-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.41
Rot. Bonds3

About methyl N-[6-[hydroxy(phenyl)methyl]cyclohex-3-en-1-yl]carbamate

methyl N-[6-[hydroxy(phenyl)methyl]cyclohex-3-en-1-yl]carbamate (PubChem CID 67627322) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is methyl N-[6-[hydroxy(phenyl)methyl]cyclohex-3-en-1-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[6-[hydroxy(phenyl)methyl]cyclohex-3-en-1-yl]carbamate
PubChem CID67627322
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namemethyl N-[6-[hydroxy(phenyl)methyl]cyclohex-3-en-1-yl]carbamate
SMILESCOC(=O)NC1CC=CCC1C(O)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-19-15(18)16-13-10-6-5-9-12(13)14(17)11-7-3-2-4-8-11/h2-8,12-14,17H,9-10H2,1H3,(H,16,18)
InChIKeyVYQZWLRSVDBPKF-UHFFFAOYSA-N
XLogP2.41
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-[(1R,6R)-6-iodocyclohex-3-en-1-yl]carbamate
CID 90482110
methyl (1S)-6-(phenylmethoxycarbonylamino)cyclohex-3-ene-1-carboxylate
CID 54162931
cis-(1S,2R)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid
CID 165353427
cis-(1R,2S)-2-[hydroxy(phenyl)methyl]cyclopropane-1-carboxylic acid
CID 130979849
6-[hydroxy-(4-methylphenyl)methyl]cyclohex-3-ene-1-carboxylic acid
CID 43120555
2-[hydroxy(phenyl)methyl]-4-methylcyclopentane-1-carboxylic acid
CID 114392534
tert-butyl N-[(1R,6S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohex-3-en-1-yl]carbamate
CID 58822264
tert-butyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;(1S)-1-hydroxy-1-phenylpropan-2-one
CID 158308736
tert-butyl N-[(3S,4S)-4-[amino(phenyl)methyl]oxolan-3-yl]carbamate
CID 138014700
6-[(4-fluorophenyl)-hydroxymethyl]cyclohex-3-ene-1-carboxylic acid
CID 43120582
methyl 2-hydroxy-3-phenylbutanoate
CID 14023743
methyl (1S,5S)-5-(phenylmethoxycarbonylamino)cyclopent-2-ene-1-carboxylate
CID 138979495

Frequently Asked Questions

What is the IUPAC name of methyl N-[6-[hydroxy(phenyl)methyl]cyclohex-3-en-1-yl]carbamate?
The IUPAC name of methyl N-[6-[hydroxy(phenyl)methyl]cyclohex-3-en-1-yl]carbamate (CID 67627322) is methyl N-[6-[hydroxy(phenyl)methyl]cyclohex-3-en-1-yl]carbamate.
What is the SMILES notation for methyl N-[6-[hydroxy(phenyl)methyl]cyclohex-3-en-1-yl]carbamate?
The canonical SMILES for methyl N-[6-[hydroxy(phenyl)methyl]cyclohex-3-en-1-yl]carbamate is COC(=O)NC1CC=CCC1C(O)c1ccccc1.
What is the InChIKey of methyl N-[6-[hydroxy(phenyl)methyl]cyclohex-3-en-1-yl]carbamate?
The InChIKey is VYQZWLRSVDBPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-19-15(18)16-13-10-6-5-9-12(13)14(17)11-7-3-2-4-8-11/h2-8,12-14,17H,9-10H2,1H3,(H,16,18).
What are the key properties of methyl N-[6-[hydroxy(phenyl)methyl]cyclohex-3-en-1-yl]carbamate?
methyl N-[6-[hydroxy(phenyl)methyl]cyclohex-3-en-1-yl]carbamate has a molecular weight of 261.32 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[6-[hydroxy(phenyl)methyl]cyclohex-3-en-1-yl]carbamate is sourced from PubChem (CID 67627322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).