1-azabicyclo[3.2.1]octan-6-yl propanoate

C10H17NO2 — CID 19848695

IUPAC1-azabicyclo[3.2.1]octan-6-yl propanoate
SMILESCCC(=O)OC1CN2CCCC1C2
InChIInChI=1S/C10H17NO2/c1-2-10(12)13-9-7-11-5-3-4-8(9)6-11/h8-9H,2-7H2,1H3
InChIKeyPOVPSJIPQGIKMZ-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.03
Rot. Bonds2

About 1-azabicyclo[3.2.1]octan-6-yl propanoate

1-azabicyclo[3.2.1]octan-6-yl propanoate (PubChem CID 19848695) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-azabicyclo[3.2.1]octan-6-yl propanoate.

Molecular Properties

Compound Name1-azabicyclo[3.2.1]octan-6-yl propanoate
PubChem CID19848695
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-azabicyclo[3.2.1]octan-6-yl propanoate
SMILESCCC(=O)OC1CN2CCCC1C2
InChIInChI=1S/C10H17NO2/c1-2-10(12)13-9-7-11-5-3-4-8(9)6-11/h8-9H,2-7H2,1H3
InChIKeyPOVPSJIPQGIKMZ-UHFFFAOYSA-N
XLogP1.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-azabicyclo[3.2.1]octan-6-yl propanoate with MolForge

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

Launch Full Analysis

Related Compounds

1-Azabicyclo[3.2.1]octan-6-yl acetate
CID 19848698
1-Azabicyclo[3.2.1]octan-3-yl acetate
CID 19848713
1-Azabicyclo[3.2.1]octan-6-yl propanoate;hydrochloride
CID 19848694
6-Propoxy-1-azabicyclo[3.2.1]octane
CID 19848699
6-Ethoxy-1-azabicyclo[3.2.1]octane
CID 19848700
1-Azabicyclo[3.2.1]octan-3-yl acetate;hydrochloride
CID 19848712
6-Propoxy-1-azabicyclo[3.2.1]octane;hydrochloride
CID 19848715
1-Azabicyclo[3.2.1]octan-6-yl acetate;hydrochloride
CID 19848720
3,8-Dimethyl-6-oxa-3-azabicyclo[3.2.1]octan-7-one
CID 58019074
6-Ethoxy-1-azabicyclo[3.2.1]octane;hydrochloride
CID 70421337
1-Azabicyclo[3.2.1]octan-6-yl formate
CID 88631504
(1-Methylpyrrolidin-3-yl) 1-ethylpiperidine-3-carboxylate
CID 166035844

Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[3.2.1]octan-6-yl propanoate?
The IUPAC name of 1-azabicyclo[3.2.1]octan-6-yl propanoate (CID 19848695) is 1-azabicyclo[3.2.1]octan-6-yl propanoate.
What is the SMILES notation for 1-azabicyclo[3.2.1]octan-6-yl propanoate?
The canonical SMILES for 1-azabicyclo[3.2.1]octan-6-yl propanoate is CCC(=O)OC1CN2CCCC1C2.
What is the InChIKey of 1-azabicyclo[3.2.1]octan-6-yl propanoate?
The InChIKey is POVPSJIPQGIKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-10(12)13-9-7-11-5-3-4-8(9)6-11/h8-9H,2-7H2,1H3.
What are the key properties of 1-azabicyclo[3.2.1]octan-6-yl propanoate?
1-azabicyclo[3.2.1]octan-6-yl propanoate has a molecular weight of 183.25 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[3.2.1]octan-6-yl propanoate is sourced from PubChem (CID 19848695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).