[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-methylidenecarbamate

C12H21NO2 — CID 143270001

IUPAC[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-methylidenecarbamate
SMILESC=NC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C12H21NO2/c1-8(2)10-6-5-9(3)7-11(10)15-12(14)13-4/h8-11H,4-7H2,1-3H3/t9-,10+,11-/m1/s1
InChIKeyDWMOPWHIAGUHBX-OUAUKWLOSA-N
MW211.30 g/mol
LogP3.28
Rot. Bonds2

About [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-methylidenecarbamate

[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-methylidenecarbamate (PubChem CID 143270001) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-methylidenecarbamate.

Molecular Properties

Compound Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-methylidenecarbamate
PubChem CID143270001
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-methylidenecarbamate
SMILESC=NC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChIInChI=1S/C12H21NO2/c1-8(2)10-6-5-9(3)7-11(10)15-12(14)13-4/h8-11H,4-7H2,1-3H3/t9-,10+,11-/m1/s1
InChIKeyDWMOPWHIAGUHBX-OUAUKWLOSA-N
XLogP3.28
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-methylidenecarbamate?
The IUPAC name of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-methylidenecarbamate (CID 143270001) is [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-methylidenecarbamate.
What is the SMILES notation for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-methylidenecarbamate?
The canonical SMILES for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-methylidenecarbamate is C=NC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C.
What is the InChIKey of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-methylidenecarbamate?
The InChIKey is DWMOPWHIAGUHBX-OUAUKWLOSA-N. The full InChI is InChI=1S/C12H21NO2/c1-8(2)10-6-5-9(3)7-11(10)15-12(14)13-4/h8-11H,4-7H2,1-3H3/t9-,10+,11-/m1/s1.
What are the key properties of [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-methylidenecarbamate?
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-methylidenecarbamate has a molecular weight of 211.30 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-methylidenecarbamate is sourced from PubChem (CID 143270001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).