methyl N-pentylidenecarbamate

C7H13NO2 — CID 56623768

IUPACmethyl N-pentylidenecarbamate
SMILESCCCCC=NC(=O)OC
InChIInChI=1S/C7H13NO2/c1-3-4-5-6-8-7(9)10-2/h6H,3-5H2,1-2H3
InChIKeyLZCXWZPZWITKKL-UHFFFAOYSA-N
MW143.19 g/mol
LogP2.01
Rot. Bonds3

About methyl N-pentylidenecarbamate

methyl N-pentylidenecarbamate (PubChem CID 56623768) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is methyl N-pentylidenecarbamate.

Molecular Properties

Compound Namemethyl N-pentylidenecarbamate
PubChem CID56623768
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namemethyl N-pentylidenecarbamate
SMILESCCCCC=NC(=O)OC
InChIInChI=1S/C7H13NO2/c1-3-4-5-6-8-7(9)10-2/h6H,3-5H2,1-2H3
InChIKeyLZCXWZPZWITKKL-UHFFFAOYSA-N
XLogP2.01
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

methyl (NE)-N-ethylidenecarbamate
CID 22084553
ethyl N-butylidenecarbamate
CID 56612191
ethyl N-propylidenecarbamate
CID 56616575
methyl N-ethylidenecarbamate
CID 56631148
methyl N-propylidenecarbamate
CID 57032739
methyl N-butylidenecarbamate
CID 57181474
Hexylidenecarbamic acid
CID 57318107
methyl (NZ)-N-ethylidenecarbamate
CID 59960677
Pentylidenecarbamic acid
CID 91272189
Butylidenecarbamic acid
CID 151153012
methyl N-(2-methylpropylidene)carbamate
CID 173382905
Methoxycarbonyl(pentylidene)azanium
CID 101751923

Frequently Asked Questions

What is the IUPAC name of methyl N-pentylidenecarbamate?
The IUPAC name of methyl N-pentylidenecarbamate (CID 56623768) is methyl N-pentylidenecarbamate.
What is the SMILES notation for methyl N-pentylidenecarbamate?
The canonical SMILES for methyl N-pentylidenecarbamate is CCCCC=NC(=O)OC.
What is the InChIKey of methyl N-pentylidenecarbamate?
The InChIKey is LZCXWZPZWITKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-4-5-6-8-7(9)10-2/h6H,3-5H2,1-2H3.
What are the key properties of methyl N-pentylidenecarbamate?
methyl N-pentylidenecarbamate has a molecular weight of 143.19 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-pentylidenecarbamate is sourced from PubChem (CID 56623768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).