(2-aminocyclohex-3-en-1-yl) formate

C7H11NO2 — CID 90747826

IUPAC(2-aminocyclohex-3-en-1-yl) formate
SMILESNC1C=CCCC1OC=O
InChIInChI=1S/C7H11NO2/c8-6-3-1-2-4-7(6)10-5-9/h1,3,5-7H,2,4,8H2
InChIKeyZVPYHSPXWVZPBF-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.21
Rot. Bonds2

About (2-aminocyclohex-3-en-1-yl) formate

(2-aminocyclohex-3-en-1-yl) formate (PubChem CID 90747826) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (2-aminocyclohex-3-en-1-yl) formate.

Molecular Properties

Compound Name(2-aminocyclohex-3-en-1-yl) formate
PubChem CID90747826
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(2-aminocyclohex-3-en-1-yl) formate
SMILESNC1C=CCCC1OC=O
InChIInChI=1S/C7H11NO2/c8-6-3-1-2-4-7(6)10-5-9/h1,3,5-7H,2,4,8H2
InChIKeyZVPYHSPXWVZPBF-UHFFFAOYSA-N
XLogP0.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-aminocyclohex-3-en-1-yl) formate?
The IUPAC name of (2-aminocyclohex-3-en-1-yl) formate (CID 90747826) is (2-aminocyclohex-3-en-1-yl) formate.
What is the SMILES notation for (2-aminocyclohex-3-en-1-yl) formate?
The canonical SMILES for (2-aminocyclohex-3-en-1-yl) formate is NC1C=CCCC1OC=O.
What is the InChIKey of (2-aminocyclohex-3-en-1-yl) formate?
The InChIKey is ZVPYHSPXWVZPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c8-6-3-1-2-4-7(6)10-5-9/h1,3,5-7H,2,4,8H2.
What are the key properties of (2-aminocyclohex-3-en-1-yl) formate?
(2-aminocyclohex-3-en-1-yl) formate has a molecular weight of 141.17 g/mol, XLogP of 0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclohex-3-en-1-yl) formate is sourced from PubChem (CID 90747826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).