9-bicyclo[6.1.0]non-4-ynylmethyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate

C17H27NO5 — CID 91757921

IUPAC9-bicyclo[6.1.0]non-4-ynylmethyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate
SMILESO=C(NCCOCCOCCO)OCC1C2CCC#CCCC21
InChIInChI=1S/C17H27NO5/c19-8-10-22-12-11-21-9-7-18-17(20)23-13-16-14-5-3-1-2-4-6-15(14)16/h14-16,19H,3-13H2,(H,18,20)
InChIKeyPEXDOIHAKXYTET-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.18
Rot. Bonds10

About 9-bicyclo[6.1.0]non-4-ynylmethyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate

9-bicyclo[6.1.0]non-4-ynylmethyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate (PubChem CID 91757921) has the molecular formula C17H27NO5 and a molecular weight of 325.41 g/mol. Its IUPAC name is 9-bicyclo[6.1.0]non-4-ynylmethyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate.

Molecular Properties

Compound Name9-bicyclo[6.1.0]non-4-ynylmethyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate
PubChem CID91757921
Molecular FormulaC17H27NO5
Molecular Weight325.41 g/mol
Exact Mass325.19
IUPAC Name9-bicyclo[6.1.0]non-4-ynylmethyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate
SMILESO=C(NCCOCCOCCO)OCC1C2CCC#CCCC21
InChIInChI=1S/C17H27NO5/c19-8-10-22-12-11-21-9-7-18-17(20)23-13-16-14-5-3-1-2-4-6-15(14)16/h14-16,19H,3-13H2,(H,18,20)
InChIKeyPEXDOIHAKXYTET-UHFFFAOYSA-N
XLogP1.18
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 9-bicyclo[6.1.0]non-4-ynylmethyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-bicyclo[6.1.0]non-4-ynylmethyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate?
The IUPAC name of 9-bicyclo[6.1.0]non-4-ynylmethyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate (CID 91757921) is 9-bicyclo[6.1.0]non-4-ynylmethyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate.
What is the SMILES notation for 9-bicyclo[6.1.0]non-4-ynylmethyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate?
The canonical SMILES for 9-bicyclo[6.1.0]non-4-ynylmethyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate is O=C(NCCOCCOCCO)OCC1C2CCC#CCCC21.
What is the InChIKey of 9-bicyclo[6.1.0]non-4-ynylmethyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate?
The InChIKey is PEXDOIHAKXYTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO5/c19-8-10-22-12-11-21-9-7-18-17(20)23-13-16-14-5-3-1-2-4-6-15(14)16/h14-16,19H,3-13H2,(H,18,20).
What are the key properties of 9-bicyclo[6.1.0]non-4-ynylmethyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate?
9-bicyclo[6.1.0]non-4-ynylmethyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate has a molecular weight of 325.41 g/mol, XLogP of 1.18, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bicyclo[6.1.0]non-4-ynylmethyl N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate is sourced from PubChem (CID 91757921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).