ethyl N-(2-methylpentylidene)carbamate

C9H17NO2 — CID 56623678

IUPACethyl N-(2-methylpentylidene)carbamate
SMILESCCCC(C)C=NC(=O)OCC
InChIInChI=1S/C9H17NO2/c1-4-6-8(3)7-10-9(11)12-5-2/h7-8H,4-6H2,1-3H3
InChIKeyXBRPNOJUILUXCI-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.65
Rot. Bonds4

About ethyl N-(2-methylpentylidene)carbamate

ethyl N-(2-methylpentylidene)carbamate (PubChem CID 56623678) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is ethyl N-(2-methylpentylidene)carbamate.

Molecular Properties

Compound Nameethyl N-(2-methylpentylidene)carbamate
PubChem CID56623678
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nameethyl N-(2-methylpentylidene)carbamate
SMILESCCCC(C)C=NC(=O)OCC
InChIInChI=1S/C9H17NO2/c1-4-6-8(3)7-10-9(11)12-5-2/h7-8H,4-6H2,1-3H3
InChIKeyXBRPNOJUILUXCI-UHFFFAOYSA-N
XLogP2.65
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (NZ)-N-(3-methylbutylidene)carbamate
CID 164674884
tert-butyl (NE)-N-(3-methylbutylidene)carbamate
CID 24827694
ethyl (NE)-N-(2-methylpropylidene)carbamate
CID 87149029
methyl N-(2-methylhexylidene)carbamate
CID 56613311
ethyl N-(2-methylpropylidene)carbamate
CID 56617739
ethyl N-(2-methylbutylidene)carbamate
CID 56637023
tert-butyl N-(5-methylhexylidene)carbamate
CID 57324162
tert-butyl N-(3-methylbutylidene)carbamate
CID 74326976
2-methylpropyl N-ethylidenecarbamate
CID 123386194
tert-butyl N-(2-methylbutylidene)carbamate
CID 174514833
2-methylpropyl N-(2-methylpropylidene)carbamate
CID 175288576

Frequently Asked Questions

What is the IUPAC name of ethyl N-(2-methylpentylidene)carbamate?
The IUPAC name of ethyl N-(2-methylpentylidene)carbamate (CID 56623678) is ethyl N-(2-methylpentylidene)carbamate.
What is the SMILES notation for ethyl N-(2-methylpentylidene)carbamate?
The canonical SMILES for ethyl N-(2-methylpentylidene)carbamate is CCCC(C)C=NC(=O)OCC.
What is the InChIKey of ethyl N-(2-methylpentylidene)carbamate?
The InChIKey is XBRPNOJUILUXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-6-8(3)7-10-9(11)12-5-2/h7-8H,4-6H2,1-3H3.
What are the key properties of ethyl N-(2-methylpentylidene)carbamate?
ethyl N-(2-methylpentylidene)carbamate has a molecular weight of 171.24 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(2-methylpentylidene)carbamate is sourced from PubChem (CID 56623678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).