2-propylpentyl N-methylcarbamate

C10H21NO2 — CID 57342030

IUPAC2-propylpentyl N-methylcarbamate
SMILESCCCC(CCC)COC(=O)NC
InChIInChI=1S/C10H21NO2/c1-4-6-9(7-5-2)8-13-10(12)11-3/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyHPQSSMIWHZDDLU-UHFFFAOYSA-N
MW187.28 g/mol
LogP2.56
Rot. Bonds6

About 2-propylpentyl N-methylcarbamate

2-propylpentyl N-methylcarbamate (PubChem CID 57342030) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-propylpentyl N-methylcarbamate.

Molecular Properties

Compound Name2-propylpentyl N-methylcarbamate
PubChem CID57342030
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-propylpentyl N-methylcarbamate
SMILESCCCC(CCC)COC(=O)NC
InChIInChI=1S/C10H21NO2/c1-4-6-9(7-5-2)8-13-10(12)11-3/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyHPQSSMIWHZDDLU-UHFFFAOYSA-N
XLogP2.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propylpentyl N-methylcarbamate?
The IUPAC name of 2-propylpentyl N-methylcarbamate (CID 57342030) is 2-propylpentyl N-methylcarbamate.
What is the SMILES notation for 2-propylpentyl N-methylcarbamate?
The canonical SMILES for 2-propylpentyl N-methylcarbamate is CCCC(CCC)COC(=O)NC.
What is the InChIKey of 2-propylpentyl N-methylcarbamate?
The InChIKey is HPQSSMIWHZDDLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-6-9(7-5-2)8-13-10(12)11-3/h9H,4-8H2,1-3H3,(H,11,12).
What are the key properties of 2-propylpentyl N-methylcarbamate?
2-propylpentyl N-methylcarbamate has a molecular weight of 187.28 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylpentyl N-methylcarbamate is sourced from PubChem (CID 57342030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).