methyl N-nonylcarbamate

C11H23NO2 — CID 5102101

IUPACmethyl N-nonylcarbamate
SMILESCCCCCCCCCNC(=O)OC
InChIInChI=1S/C11H23NO2/c1-3-4-5-6-7-8-9-10-12-11(13)14-2/h3-10H2,1-2H3,(H,12,13)
InChIKeyRRQZQNFQNFVZCU-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.09
Rot. Bonds8

About methyl N-nonylcarbamate

methyl N-nonylcarbamate (PubChem CID 5102101) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is methyl N-nonylcarbamate.

Molecular Properties

Compound Namemethyl N-nonylcarbamate
PubChem CID5102101
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namemethyl N-nonylcarbamate
SMILESCCCCCCCCCNC(=O)OC
InChIInChI=1S/C11H23NO2/c1-3-4-5-6-7-8-9-10-12-11(13)14-2/h3-10H2,1-2H3,(H,12,13)
InChIKeyRRQZQNFQNFVZCU-UHFFFAOYSA-N
XLogP3.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyldecan-1-amine;methyl N-decylcarbamate
CID 137370679
methyl N-[10-(methoxycarbonylamino)decyl]carbamate
CID 54285968
methyl N-[4-(methoxycarbonylamino)butyl]carbamate
CID 2255932
nonylcarbamoperoxoic acid
CID 140999734
tert-butyl N-nonylcarbamate;ethane
CID 168941348
pentyl 6-(methoxycarbonylamino)hexanoate
CID 91699204
decyl 6-(methoxycarbonylamino)hexanoate
CID 91726021
methyl N-[12-(methylamino)dodecyl]carbamate
CID 158871093
hexyl N-tetradecylcarbamate
CID 91739120
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925

Frequently Asked Questions

What is the IUPAC name of methyl N-nonylcarbamate?
The IUPAC name of methyl N-nonylcarbamate (CID 5102101) is methyl N-nonylcarbamate.
What is the SMILES notation for methyl N-nonylcarbamate?
The canonical SMILES for methyl N-nonylcarbamate is CCCCCCCCCNC(=O)OC.
What is the InChIKey of methyl N-nonylcarbamate?
The InChIKey is RRQZQNFQNFVZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-4-5-6-7-8-9-10-12-11(13)14-2/h3-10H2,1-2H3,(H,12,13).
What are the key properties of methyl N-nonylcarbamate?
methyl N-nonylcarbamate has a molecular weight of 201.31 g/mol, XLogP of 3.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-nonylcarbamate is sourced from PubChem (CID 5102101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).