(1,6-dimethylcyclohexa-2,4-dien-1-yl) carbamate

Name: (1,6-dimethylcyclohexa-2,4-dien-1-yl) carbamate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₉H₁₃NO₂ — CID 141274704

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(1,6-dimethylcyclohexa-2,4-dien-1-yl) carbamate

SMILESCC1C=CC=CC1(C)OC(N)=O

InChIInChI=1S/C9H13NO2/c1-7-5-3-4-6-9(7,2)12-8(10)11/h3-7H,1-2H3,(H2,10,11)

InChIKeySSNUMEAHSGJACR-UHFFFAOYSA-N

MW167.21 g/mol

LogP1.60

Rot. Bonds1

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

(1,6-dimethylcyclohexa-2,4-dien-1-yl) carbamate (PubChem CID 141274704) has the molecular formula C₉H₁₃NO₂ and a molecular weight of 167.21 g/mol. Its IUPAC name is (1,6-dimethylcyclohexa-2,4-dien-1-yl) carbamate.

Molecular Properties

Compound Name	(1,6-dimethylcyclohexa-2,4-dien-1-yl) carbamate
PubChem CID	141274704
Molecular Formula	C₉H₁₃NO₂
Molecular Weight	167.21 g/mol
Exact Mass	167.09
IUPAC Name	(1,6-dimethylcyclohexa-2,4-dien-1-yl) carbamate
SMILES	CC1C=CC=CC1(C)OC(N)=O
InChI	InChI=1S/C9H13NO2/c1-7-5-3-4-6-9(7,2)12-8(10)11/h3-7H,1-2H3,(H2,10,11)
InChIKey	SSNUMEAHSGJACR-UHFFFAOYSA-N
XLogP	1.60
TPSA	52.32 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	1
Heavy Atoms	12
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	167.21
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (1,6-dimethylcyclohexa-2,4-dien-1-yl) carbamate?

The IUPAC name of (1,6-dimethylcyclohexa-2,4-dien-1-yl) carbamate (CID 141274704) is (1,6-dimethylcyclohexa-2,4-dien-1-yl) carbamate.

What is the SMILES notation for (1,6-dimethylcyclohexa-2,4-dien-1-yl) carbamate?

The canonical SMILES for (1,6-dimethylcyclohexa-2,4-dien-1-yl) carbamate is CC1C=CC=CC1(C)OC(N)=O.

What is the InChIKey of (1,6-dimethylcyclohexa-2,4-dien-1-yl) carbamate?

The InChIKey is SSNUMEAHSGJACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-7-5-3-4-6-9(7,2)12-8(10)11/h3-7H,1-2H3,(H2,10,11).

What are the key properties of (1,6-dimethylcyclohexa-2,4-dien-1-yl) carbamate?

(1,6-dimethylcyclohexa-2,4-dien-1-yl) carbamate has a molecular weight of 167.21 g/mol, XLogP of 1.60, 1 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) carbamate is sourced from PubChem (CID 141274704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 141274704 — identifiers, structure, computed properties (public domain)

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