methyl N-ethyl-N-pent-4-en-2-ylcarbamate

C9H17NO2 — CID 11816123

IUPACmethyl N-ethyl-N-pent-4-en-2-ylcarbamate
SMILESC=CCC(C)N(CC)C(=O)OC
InChIInChI=1S/C9H17NO2/c1-5-7-8(3)10(6-2)9(11)12-4/h5,8H,1,6-7H2,2-4H3
InChIKeyAFLPSGLMQXILLM-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.04
Rot. Bonds4

About methyl N-ethyl-N-pent-4-en-2-ylcarbamate

methyl N-ethyl-N-pent-4-en-2-ylcarbamate (PubChem CID 11816123) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl N-ethyl-N-pent-4-en-2-ylcarbamate.

Molecular Properties

Compound Namemethyl N-ethyl-N-pent-4-en-2-ylcarbamate
PubChem CID11816123
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl N-ethyl-N-pent-4-en-2-ylcarbamate
SMILESC=CCC(C)N(CC)C(=O)OC
InChIInChI=1S/C9H17NO2/c1-5-7-8(3)10(6-2)9(11)12-4/h5,8H,1,6-7H2,2-4H3
InChIKeyAFLPSGLMQXILLM-UHFFFAOYSA-N
XLogP2.04
TPSA29.54 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 ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-ethyl-N-pent-4-en-2-ylcarbamate?
The IUPAC name of methyl N-ethyl-N-pent-4-en-2-ylcarbamate (CID 11816123) is methyl N-ethyl-N-pent-4-en-2-ylcarbamate.
What is the SMILES notation for methyl N-ethyl-N-pent-4-en-2-ylcarbamate?
The canonical SMILES for methyl N-ethyl-N-pent-4-en-2-ylcarbamate is C=CCC(C)N(CC)C(=O)OC.
What is the InChIKey of methyl N-ethyl-N-pent-4-en-2-ylcarbamate?
The InChIKey is AFLPSGLMQXILLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-5-7-8(3)10(6-2)9(11)12-4/h5,8H,1,6-7H2,2-4H3.
What are the key properties of methyl N-ethyl-N-pent-4-en-2-ylcarbamate?
methyl N-ethyl-N-pent-4-en-2-ylcarbamate has a molecular weight of 171.24 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-ethyl-N-pent-4-en-2-ylcarbamate is sourced from PubChem (CID 11816123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).