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

C12H19NO2 — CID 139683815

IUPAC(1,6-dimethylcyclohexa-2,4-dien-1-yl) N-propylcarbamate
SMILESCCCNC(=O)OC1(C)C=CC=CC1C
InChIInChI=1S/C12H19NO2/c1-4-9-13-11(14)15-12(3)8-6-5-7-10(12)2/h5-8,10H,4,9H2,1-3H3,(H,13,14)
InChIKeyQFMYFFHMEYIXPV-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.64
Rot. Bonds3

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

(1,6-dimethylcyclohexa-2,4-dien-1-yl) N-propylcarbamate (PubChem CID 139683815) 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-propylcarbamate.

Molecular Properties

Compound Name(1,6-dimethylcyclohexa-2,4-dien-1-yl) N-propylcarbamate
PubChem CID139683815
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(1,6-dimethylcyclohexa-2,4-dien-1-yl) N-propylcarbamate
SMILESCCCNC(=O)OC1(C)C=CC=CC1C
InChIInChI=1S/C12H19NO2/c1-4-9-13-11(14)15-12(3)8-6-5-7-10(12)2/h5-8,10H,4,9H2,1-3H3,(H,13,14)
InChIKeyQFMYFFHMEYIXPV-UHFFFAOYSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-propylcarbamate?
The IUPAC name of (1,6-dimethylcyclohexa-2,4-dien-1-yl) N-propylcarbamate (CID 139683815) is (1,6-dimethylcyclohexa-2,4-dien-1-yl) N-propylcarbamate.
What is the SMILES notation for (1,6-dimethylcyclohexa-2,4-dien-1-yl) N-propylcarbamate?
The canonical SMILES for (1,6-dimethylcyclohexa-2,4-dien-1-yl) N-propylcarbamate is CCCNC(=O)OC1(C)C=CC=CC1C.
What is the InChIKey of (1,6-dimethylcyclohexa-2,4-dien-1-yl) N-propylcarbamate?
The InChIKey is QFMYFFHMEYIXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-9-13-11(14)15-12(3)8-6-5-7-10(12)2/h5-8,10H,4,9H2,1-3H3,(H,13,14).
What are the key properties of (1,6-dimethylcyclohexa-2,4-dien-1-yl) N-propylcarbamate?
(1,6-dimethylcyclohexa-2,4-dien-1-yl) N-propylcarbamate has a molecular weight of 209.29 g/mol, XLogP of 2.64, 3 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-propylcarbamate is sourced from PubChem (CID 139683815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).