[1-[3-(methylamino)cyclobutyl]cyclohexa-2,4-dien-1-yl]methyl carbamate

C13H20N2O2 — CID 174771297

IUPAC[1-[3-(methylamino)cyclobutyl]cyclohexa-2,4-dien-1-yl]methyl carbamate
SMILESCNC1CC(C2(COC(N)=O)C=CC=CC2)C1
InChIInChI=1S/C13H20N2O2/c1-15-11-7-10(8-11)13(9-17-12(14)16)5-3-2-4-6-13/h2-5,10-11,15H,6-9H2,1H3,(H2,14,16)
InChIKeyLPWNXTDUHXKAKW-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.58
Rot. Bonds4

About [1-[3-(methylamino)cyclobutyl]cyclohexa-2,4-dien-1-yl]methyl carbamate

[1-[3-(methylamino)cyclobutyl]cyclohexa-2,4-dien-1-yl]methyl carbamate (PubChem CID 174771297) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is [1-[3-(methylamino)cyclobutyl]cyclohexa-2,4-dien-1-yl]methyl carbamate.

Molecular Properties

Compound Name[1-[3-(methylamino)cyclobutyl]cyclohexa-2,4-dien-1-yl]methyl carbamate
PubChem CID174771297
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name[1-[3-(methylamino)cyclobutyl]cyclohexa-2,4-dien-1-yl]methyl carbamate
SMILESCNC1CC(C2(COC(N)=O)C=CC=CC2)C1
InChIInChI=1S/C13H20N2O2/c1-15-11-7-10(8-11)13(9-17-12(14)16)5-3-2-4-6-13/h2-5,10-11,15H,6-9H2,1H3,(H2,14,16)
InChIKeyLPWNXTDUHXKAKW-UHFFFAOYSA-N
XLogP1.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(methylamino)cyclobutyl]cyclohexa-2,4-dien-1-yl]methyl carbamate?
The IUPAC name of [1-[3-(methylamino)cyclobutyl]cyclohexa-2,4-dien-1-yl]methyl carbamate (CID 174771297) is [1-[3-(methylamino)cyclobutyl]cyclohexa-2,4-dien-1-yl]methyl carbamate.
What is the SMILES notation for [1-[3-(methylamino)cyclobutyl]cyclohexa-2,4-dien-1-yl]methyl carbamate?
The canonical SMILES for [1-[3-(methylamino)cyclobutyl]cyclohexa-2,4-dien-1-yl]methyl carbamate is CNC1CC(C2(COC(N)=O)C=CC=CC2)C1.
What is the InChIKey of [1-[3-(methylamino)cyclobutyl]cyclohexa-2,4-dien-1-yl]methyl carbamate?
The InChIKey is LPWNXTDUHXKAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-15-11-7-10(8-11)13(9-17-12(14)16)5-3-2-4-6-13/h2-5,10-11,15H,6-9H2,1H3,(H2,14,16).
What are the key properties of [1-[3-(methylamino)cyclobutyl]cyclohexa-2,4-dien-1-yl]methyl carbamate?
[1-[3-(methylamino)cyclobutyl]cyclohexa-2,4-dien-1-yl]methyl carbamate has a molecular weight of 236.31 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(methylamino)cyclobutyl]cyclohexa-2,4-dien-1-yl]methyl carbamate is sourced from PubChem (CID 174771297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).