[2-methyl-1-(3-methylidenecyclohexyl)propan-2-yl] carbamate

C12H21NO2 — CID 151971138

IUPAC[2-methyl-1-(3-methylidenecyclohexyl)propan-2-yl] carbamate
SMILESC=C1CCCC(CC(C)(C)OC(N)=O)C1
InChIInChI=1S/C12H21NO2/c1-9-5-4-6-10(7-9)8-12(2,3)15-11(13)14/h10H,1,4-8H2,2-3H3,(H2,13,14)
InChIKeyUARQCYWFWGQAGV-UHFFFAOYSA-N
MW211.30 g/mol
LogP3.00
Rot. Bonds3

About [2-methyl-1-(3-methylidenecyclohexyl)propan-2-yl] carbamate

[2-methyl-1-(3-methylidenecyclohexyl)propan-2-yl] carbamate (PubChem CID 151971138) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is [2-methyl-1-(3-methylidenecyclohexyl)propan-2-yl] carbamate.

Molecular Properties

Compound Name[2-methyl-1-(3-methylidenecyclohexyl)propan-2-yl] carbamate
PubChem CID151971138
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name[2-methyl-1-(3-methylidenecyclohexyl)propan-2-yl] carbamate
SMILESC=C1CCCC(CC(C)(C)OC(N)=O)C1
InChIInChI=1S/C12H21NO2/c1-9-5-4-6-10(7-9)8-12(2,3)15-11(13)14/h10H,1,4-8H2,2-3H3,(H2,13,14)
InChIKeyUARQCYWFWGQAGV-UHFFFAOYSA-N
XLogP3.00
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 53.00
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 [2-methyl-1-(3-methylidenecyclohexyl)propan-2-yl] carbamate?
The IUPAC name of [2-methyl-1-(3-methylidenecyclohexyl)propan-2-yl] carbamate (CID 151971138) is [2-methyl-1-(3-methylidenecyclohexyl)propan-2-yl] carbamate.
What is the SMILES notation for [2-methyl-1-(3-methylidenecyclohexyl)propan-2-yl] carbamate?
The canonical SMILES for [2-methyl-1-(3-methylidenecyclohexyl)propan-2-yl] carbamate is C=C1CCCC(CC(C)(C)OC(N)=O)C1.
What is the InChIKey of [2-methyl-1-(3-methylidenecyclohexyl)propan-2-yl] carbamate?
The InChIKey is UARQCYWFWGQAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9-5-4-6-10(7-9)8-12(2,3)15-11(13)14/h10H,1,4-8H2,2-3H3,(H2,13,14).
What are the key properties of [2-methyl-1-(3-methylidenecyclohexyl)propan-2-yl] carbamate?
[2-methyl-1-(3-methylidenecyclohexyl)propan-2-yl] carbamate has a molecular weight of 211.30 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-1-(3-methylidenecyclohexyl)propan-2-yl] carbamate is sourced from PubChem (CID 151971138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).