ethyl N-[[2-[(Z)-hex-3-enyl]cyclopropyl]methyl]carbamate

C13H23NO2 — CID 58895210

IUPACethyl N-[[2-[(Z)-hex-3-enyl]cyclopropyl]methyl]carbamate
SMILESCC/C=C\CCC1CC1CNC(=O)OCC
InChIInChI=1S/C13H23NO2/c1-3-5-6-7-8-11-9-12(11)10-14-13(15)16-4-2/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,14,15)/b6-5-
InChIKeyBMTMURJHNVQTCZ-WAYWQWQTSA-N
MW225.33 g/mol
LogP3.12
Rot. Bonds7

About ethyl N-[[2-[(Z)-hex-3-enyl]cyclopropyl]methyl]carbamate

ethyl N-[[2-[(Z)-hex-3-enyl]cyclopropyl]methyl]carbamate (PubChem CID 58895210) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is ethyl N-[[2-[(Z)-hex-3-enyl]cyclopropyl]methyl]carbamate.

Molecular Properties

Compound Nameethyl N-[[2-[(Z)-hex-3-enyl]cyclopropyl]methyl]carbamate
PubChem CID58895210
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Nameethyl N-[[2-[(Z)-hex-3-enyl]cyclopropyl]methyl]carbamate
SMILESCC/C=C\CCC1CC1CNC(=O)OCC
InChIInChI=1S/C13H23NO2/c1-3-5-6-7-8-11-9-12(11)10-14-13(15)16-4-2/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,14,15)/b6-5-
InChIKeyBMTMURJHNVQTCZ-WAYWQWQTSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 53.12
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-[[2-[(Z)-hex-3-enyl]cyclopropyl]methyl]carbamate?
The IUPAC name of ethyl N-[[2-[(Z)-hex-3-enyl]cyclopropyl]methyl]carbamate (CID 58895210) is ethyl N-[[2-[(Z)-hex-3-enyl]cyclopropyl]methyl]carbamate.
What is the SMILES notation for ethyl N-[[2-[(Z)-hex-3-enyl]cyclopropyl]methyl]carbamate?
The canonical SMILES for ethyl N-[[2-[(Z)-hex-3-enyl]cyclopropyl]methyl]carbamate is CC/C=C\CCC1CC1CNC(=O)OCC.
What is the InChIKey of ethyl N-[[2-[(Z)-hex-3-enyl]cyclopropyl]methyl]carbamate?
The InChIKey is BMTMURJHNVQTCZ-WAYWQWQTSA-N. The full InChI is InChI=1S/C13H23NO2/c1-3-5-6-7-8-11-9-12(11)10-14-13(15)16-4-2/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,14,15)/b6-5-.
What are the key properties of ethyl N-[[2-[(Z)-hex-3-enyl]cyclopropyl]methyl]carbamate?
ethyl N-[[2-[(Z)-hex-3-enyl]cyclopropyl]methyl]carbamate has a molecular weight of 225.33 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[[2-[(Z)-hex-3-enyl]cyclopropyl]methyl]carbamate is sourced from PubChem (CID 58895210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).