2-(pent-4-enylamino)ethyl carbamate

C8H16N2O2 — CID 83209780

IUPAC2-(pent-4-enylamino)ethyl carbamate
SMILESC=CCCCNCCOC(N)=O
InChIInChI=1S/C8H16N2O2/c1-2-3-4-5-10-6-7-12-8(9)11/h2,10H,1,3-7H2,(H2,9,11)
InChIKeyCZWHEHFCWUMMQX-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.64
Rot. Bonds7

About 2-(pent-4-enylamino)ethyl carbamate

2-(pent-4-enylamino)ethyl carbamate (PubChem CID 83209780) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-(pent-4-enylamino)ethyl carbamate.

Molecular Properties

Compound Name2-(pent-4-enylamino)ethyl carbamate
PubChem CID83209780
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-(pent-4-enylamino)ethyl carbamate
SMILESC=CCCCNCCOC(N)=O
InChIInChI=1S/C8H16N2O2/c1-2-3-4-5-10-6-7-12-8(9)11/h2,10H,1,3-7H2,(H2,9,11)
InChIKeyCZWHEHFCWUMMQX-UHFFFAOYSA-N
XLogP0.64
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(pent-4-enylamino)ethyl carbamate?
The IUPAC name of 2-(pent-4-enylamino)ethyl carbamate (CID 83209780) is 2-(pent-4-enylamino)ethyl carbamate.
What is the SMILES notation for 2-(pent-4-enylamino)ethyl carbamate?
The canonical SMILES for 2-(pent-4-enylamino)ethyl carbamate is C=CCCCNCCOC(N)=O.
What is the InChIKey of 2-(pent-4-enylamino)ethyl carbamate?
The InChIKey is CZWHEHFCWUMMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-2-3-4-5-10-6-7-12-8(9)11/h2,10H,1,3-7H2,(H2,9,11).
What are the key properties of 2-(pent-4-enylamino)ethyl carbamate?
2-(pent-4-enylamino)ethyl carbamate has a molecular weight of 172.23 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pent-4-enylamino)ethyl carbamate is sourced from PubChem (CID 83209780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).