ethyl N-cyclohept-4-en-1-ylcarbamate

C10H17NO2 — CID 25112684

IUPACethyl N-cyclohept-4-en-1-ylcarbamate
SMILESCCOC(=O)NC1CCC=CCC1
InChIInChI=1S/C10H17NO2/c1-2-13-10(12)11-9-7-5-3-4-6-8-9/h3-4,9H,2,5-8H2,1H3,(H,11,12)
InChIKeyJLKVFFBCQMDUKA-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.23
Rot. Bonds2

About ethyl N-cyclohept-4-en-1-ylcarbamate

ethyl N-cyclohept-4-en-1-ylcarbamate (PubChem CID 25112684) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is ethyl N-cyclohept-4-en-1-ylcarbamate.

Molecular Properties

Compound Nameethyl N-cyclohept-4-en-1-ylcarbamate
PubChem CID25112684
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nameethyl N-cyclohept-4-en-1-ylcarbamate
SMILESCCOC(=O)NC1CCC=CCC1
InChIInChI=1S/C10H17NO2/c1-2-13-10(12)11-9-7-5-3-4-6-8-9/h3-4,9H,2,5-8H2,1H3,(H,11,12)
InChIKeyJLKVFFBCQMDUKA-UHFFFAOYSA-N
XLogP2.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
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 ethyl N-cyclohept-4-en-1-ylcarbamate?
The IUPAC name of ethyl N-cyclohept-4-en-1-ylcarbamate (CID 25112684) is ethyl N-cyclohept-4-en-1-ylcarbamate.
What is the SMILES notation for ethyl N-cyclohept-4-en-1-ylcarbamate?
The canonical SMILES for ethyl N-cyclohept-4-en-1-ylcarbamate is CCOC(=O)NC1CCC=CCC1.
What is the InChIKey of ethyl N-cyclohept-4-en-1-ylcarbamate?
The InChIKey is JLKVFFBCQMDUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-13-10(12)11-9-7-5-3-4-6-8-9/h3-4,9H,2,5-8H2,1H3,(H,11,12).
What are the key properties of ethyl N-cyclohept-4-en-1-ylcarbamate?
ethyl N-cyclohept-4-en-1-ylcarbamate has a molecular weight of 183.25 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-cyclohept-4-en-1-ylcarbamate is sourced from PubChem (CID 25112684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).