(1,6-dimethylcyclohexa-2,4-dien-1-yl) N-propan-2-ylcarbamate

C12H19NO2 — CID 139683820

IUPAC(1,6-dimethylcyclohexa-2,4-dien-1-yl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC1(C)C=CC=CC1C
InChIInChI=1S/C12H19NO2/c1-9(2)13-11(14)15-12(4)8-6-5-7-10(12)3/h5-10H,1-4H3,(H,13,14)
InChIKeyJMHXZLCPNMVFEU-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.64
Rot. Bonds2

About (1,6-dimethylcyclohexa-2,4-dien-1-yl) N-propan-2-ylcarbamate

(1,6-dimethylcyclohexa-2,4-dien-1-yl) N-propan-2-ylcarbamate (PubChem CID 139683820) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (1,6-dimethylcyclohexa-2,4-dien-1-yl) N-propan-2-ylcarbamate.

Molecular Properties

Compound Name(1,6-dimethylcyclohexa-2,4-dien-1-yl) N-propan-2-ylcarbamate
PubChem CID139683820
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(1,6-dimethylcyclohexa-2,4-dien-1-yl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)OC1(C)C=CC=CC1C
InChIInChI=1S/C12H19NO2/c1-9(2)13-11(14)15-12(4)8-6-5-7-10(12)3/h5-10H,1-4H3,(H,13,14)
InChIKeyJMHXZLCPNMVFEU-UHFFFAOYSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1,6-dimethylcyclohexa-2,4-dien-1-yl) N-propan-2-ylcarbamate?
The IUPAC name of (1,6-dimethylcyclohexa-2,4-dien-1-yl) N-propan-2-ylcarbamate (CID 139683820) is (1,6-dimethylcyclohexa-2,4-dien-1-yl) N-propan-2-ylcarbamate.
What is the SMILES notation for (1,6-dimethylcyclohexa-2,4-dien-1-yl) N-propan-2-ylcarbamate?
The canonical SMILES for (1,6-dimethylcyclohexa-2,4-dien-1-yl) N-propan-2-ylcarbamate is CC(C)NC(=O)OC1(C)C=CC=CC1C.
What is the InChIKey of (1,6-dimethylcyclohexa-2,4-dien-1-yl) N-propan-2-ylcarbamate?
The InChIKey is JMHXZLCPNMVFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9(2)13-11(14)15-12(4)8-6-5-7-10(12)3/h5-10H,1-4H3,(H,13,14).
What are the key properties of (1,6-dimethylcyclohexa-2,4-dien-1-yl) N-propan-2-ylcarbamate?
(1,6-dimethylcyclohexa-2,4-dien-1-yl) N-propan-2-ylcarbamate has a molecular weight of 209.29 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,6-dimethylcyclohexa-2,4-dien-1-yl) N-propan-2-ylcarbamate is sourced from PubChem (CID 139683820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).