ethyl N-(4-methylpent-4-enyl)carbamate

C9H17NO2 — CID 123482675

IUPACethyl N-(4-methylpent-4-enyl)carbamate
SMILESC=C(C)CCCNC(=O)OCC
InChIInChI=1S/C9H17NO2/c1-4-12-9(11)10-7-5-6-8(2)3/h2,4-7H2,1,3H3,(H,10,11)
InChIKeyCBLUUADRAGVTCI-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.09
Rot. Bonds5

About ethyl N-(4-methylpent-4-enyl)carbamate

ethyl N-(4-methylpent-4-enyl)carbamate (PubChem CID 123482675) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is ethyl N-(4-methylpent-4-enyl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-methylpent-4-enyl)carbamate
PubChem CID123482675
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nameethyl N-(4-methylpent-4-enyl)carbamate
SMILESC=C(C)CCCNC(=O)OCC
InChIInChI=1S/C9H17NO2/c1-4-12-9(11)10-7-5-6-8(2)3/h2,4-7H2,1,3H3,(H,10,11)
InChIKeyCBLUUADRAGVTCI-UHFFFAOYSA-N
XLogP2.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-methylpent-4-enyl)carbamate?
The IUPAC name of ethyl N-(4-methylpent-4-enyl)carbamate (CID 123482675) is ethyl N-(4-methylpent-4-enyl)carbamate.
What is the SMILES notation for ethyl N-(4-methylpent-4-enyl)carbamate?
The canonical SMILES for ethyl N-(4-methylpent-4-enyl)carbamate is C=C(C)CCCNC(=O)OCC.
What is the InChIKey of ethyl N-(4-methylpent-4-enyl)carbamate?
The InChIKey is CBLUUADRAGVTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-12-9(11)10-7-5-6-8(2)3/h2,4-7H2,1,3H3,(H,10,11).
What are the key properties of ethyl N-(4-methylpent-4-enyl)carbamate?
ethyl N-(4-methylpent-4-enyl)carbamate has a molecular weight of 171.24 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(4-methylpent-4-enyl)carbamate is sourced from PubChem (CID 123482675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).