(3-formamidocyclohexyl) formate

C8H13NO3 — CID 10559091

IUPAC(3-formamidocyclohexyl) formate
SMILESO=CNC1CCCC(OC=O)C1
InChIInChI=1S/C8H13NO3/c10-5-9-7-2-1-3-8(4-7)12-6-11/h5-8H,1-4H2,(H,9,10)
InChIKeyMDSXMTNEENKYNZ-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.22
Rot. Bonds4

About (3-formamidocyclohexyl) formate

(3-formamidocyclohexyl) formate (PubChem CID 10559091) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (3-formamidocyclohexyl) formate.

Molecular Properties

Compound Name(3-formamidocyclohexyl) formate
PubChem CID10559091
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(3-formamidocyclohexyl) formate
SMILESO=CNC1CCCC(OC=O)C1
InChIInChI=1S/C8H13NO3/c10-5-9-7-2-1-3-8(4-7)12-6-11/h5-8H,1-4H2,(H,9,10)
InChIKeyMDSXMTNEENKYNZ-UHFFFAOYSA-N
XLogP0.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-formamidocyclohexyl) formate?
The IUPAC name of (3-formamidocyclohexyl) formate (CID 10559091) is (3-formamidocyclohexyl) formate.
What is the SMILES notation for (3-formamidocyclohexyl) formate?
The canonical SMILES for (3-formamidocyclohexyl) formate is O=CNC1CCCC(OC=O)C1.
What is the InChIKey of (3-formamidocyclohexyl) formate?
The InChIKey is MDSXMTNEENKYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c10-5-9-7-2-1-3-8(4-7)12-6-11/h5-8H,1-4H2,(H,9,10).
What are the key properties of (3-formamidocyclohexyl) formate?
(3-formamidocyclohexyl) formate has a molecular weight of 171.20 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-formamidocyclohexyl) formate is sourced from PubChem (CID 10559091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).