benzyl N-[(2S)-2-formylcyclohexyl]carbamate

C15H19NO3 — CID 89323392

IUPACbenzyl N-[(2S)-2-formylcyclohexyl]carbamate
SMILESO=C[C@H]1CCCCC1NC(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO3/c17-10-13-8-4-5-9-14(13)16-15(18)19-11-12-6-2-1-3-7-12/h1-3,6-7,10,13-14H,4-5,8-9,11H2,(H,16,18)/t13-,14?/m1/s1
InChIKeyHCFGLGKFSHWJJJ-KWCCSABGSA-N
MW261.32 g/mol
LogP2.67
Rot. Bonds4

About benzyl N-[(2S)-2-formylcyclohexyl]carbamate

benzyl N-[(2S)-2-formylcyclohexyl]carbamate (PubChem CID 89323392) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is benzyl N-[(2S)-2-formylcyclohexyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-2-formylcyclohexyl]carbamate
PubChem CID89323392
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Namebenzyl N-[(2S)-2-formylcyclohexyl]carbamate
SMILESO=C[C@H]1CCCCC1NC(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO3/c17-10-13-8-4-5-9-14(13)16-15(18)19-11-12-6-2-1-3-7-12/h1-3,6-7,10,13-14H,4-5,8-9,11H2,(H,16,18)/t13-,14?/m1/s1
InChIKeyHCFGLGKFSHWJJJ-KWCCSABGSA-N
XLogP2.67
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[(2S)-2-ethenylcyclohexyl]carbamate
CID 144785907
benzyl N-[(1R,2R)-2-aminocyclopentyl]carbamate
CID 44625936
benzyl N-[(1S)-2-(methoxymethyl)cyclohexyl]carbamate
CID 174499936
benzyl N-[(1S,2R)-2-aminocyclohexyl]carbamate;oxalic acid
CID 91810202
benzyl N-(2-carbamoylcyclohexyl)carbamate
CID 72740883
benzyl N-[(1S,2S,3S)-2,3-dihydroxycyclohexyl]carbamate
CID 57331884
benzyl N-[(1R,2R)-2-(phenylmethoxycarbonylamino)cyclopropyl]carbamate
CID 11859602
2-[[(1R,2S)-2-(phenylmethoxycarbonylamino)cyclohexyl]amino]acetic acid
CID 96552250
benzyl N-[(1R,2S)-2-[(2-chloroacetyl)amino]cyclohexyl]carbamate
CID 96552542
benzyl N-[(1S,2R,4R)-2-formyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 89152374
benzyl N-(2-hydroxycyclopropyl)carbamate
CID 69099067
cis-(1R,2S)-2-(phenylmethoxycarbonylamino)cyclopentane-1-carboxylate
CID 11921385

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-2-formylcyclohexyl]carbamate?
The IUPAC name of benzyl N-[(2S)-2-formylcyclohexyl]carbamate (CID 89323392) is benzyl N-[(2S)-2-formylcyclohexyl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-2-formylcyclohexyl]carbamate?
The canonical SMILES for benzyl N-[(2S)-2-formylcyclohexyl]carbamate is O=C[C@H]1CCCCC1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-2-formylcyclohexyl]carbamate?
The InChIKey is HCFGLGKFSHWJJJ-KWCCSABGSA-N. The full InChI is InChI=1S/C15H19NO3/c17-10-13-8-4-5-9-14(13)16-15(18)19-11-12-6-2-1-3-7-12/h1-3,6-7,10,13-14H,4-5,8-9,11H2,(H,16,18)/t13-,14?/m1/s1.
What are the key properties of benzyl N-[(2S)-2-formylcyclohexyl]carbamate?
benzyl N-[(2S)-2-formylcyclohexyl]carbamate has a molecular weight of 261.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-2-formylcyclohexyl]carbamate is sourced from PubChem (CID 89323392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).