2-(2-prop-2-enylcyclopropyl)ethyl carbamate

C9H15NO2 — CID 67261776

IUPAC2-(2-prop-2-enylcyclopropyl)ethyl carbamate
SMILESC=CCC1CC1CCOC(N)=O
InChIInChI=1S/C9H15NO2/c1-2-3-7-6-8(7)4-5-12-9(10)11/h2,7-8H,1,3-6H2,(H2,10,11)
InChIKeyDCSWTOMLEBPFOA-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.68
Rot. Bonds5

About 2-(2-prop-2-enylcyclopropyl)ethyl carbamate

2-(2-prop-2-enylcyclopropyl)ethyl carbamate (PubChem CID 67261776) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-(2-prop-2-enylcyclopropyl)ethyl carbamate.

Molecular Properties

Compound Name2-(2-prop-2-enylcyclopropyl)ethyl carbamate
PubChem CID67261776
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-(2-prop-2-enylcyclopropyl)ethyl carbamate
SMILESC=CCC1CC1CCOC(N)=O
InChIInChI=1S/C9H15NO2/c1-2-3-7-6-8(7)4-5-12-9(10)11/h2,7-8H,1,3-6H2,(H2,10,11)
InChIKeyDCSWTOMLEBPFOA-UHFFFAOYSA-N
XLogP1.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.68
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 2-(2-prop-2-enylcyclopropyl)ethyl carbamate?
The IUPAC name of 2-(2-prop-2-enylcyclopropyl)ethyl carbamate (CID 67261776) is 2-(2-prop-2-enylcyclopropyl)ethyl carbamate.
What is the SMILES notation for 2-(2-prop-2-enylcyclopropyl)ethyl carbamate?
The canonical SMILES for 2-(2-prop-2-enylcyclopropyl)ethyl carbamate is C=CCC1CC1CCOC(N)=O.
What is the InChIKey of 2-(2-prop-2-enylcyclopropyl)ethyl carbamate?
The InChIKey is DCSWTOMLEBPFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-3-7-6-8(7)4-5-12-9(10)11/h2,7-8H,1,3-6H2,(H2,10,11).
What are the key properties of 2-(2-prop-2-enylcyclopropyl)ethyl carbamate?
2-(2-prop-2-enylcyclopropyl)ethyl carbamate has a molecular weight of 169.22 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enylcyclopropyl)ethyl carbamate is sourced from PubChem (CID 67261776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).