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

C10H18ClNO2 — CID 19848694

IUPAC1-azabicyclo[3.2.1]octan-6-yl propanoate;hydrochloride
SMILESCCC(=O)OC1CN2CCCC1C2.Cl
InChIInChI=1S/C10H17NO2.ClH/c1-2-10(12)13-9-7-11-5-3-4-8(9)6-11;/h8-9H,2-7H2,1H3;1H
InChIKeySYDMFIYQQHIWSN-UHFFFAOYSA-N
MW219.71 g/mol
LogP1.46
Rot. Bonds2

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

1-azabicyclo[3.2.1]octan-6-yl propanoate;hydrochloride (PubChem CID 19848694) has the molecular formula C10H18ClNO2 and a molecular weight of 219.71 g/mol. Its IUPAC name is 1-azabicyclo[3.2.1]octan-6-yl propanoate;hydrochloride.

Molecular Properties

Compound Name1-azabicyclo[3.2.1]octan-6-yl propanoate;hydrochloride
PubChem CID19848694
Molecular FormulaC10H18ClNO2
Molecular Weight219.71 g/mol
Exact Mass219.10
IUPAC Name1-azabicyclo[3.2.1]octan-6-yl propanoate;hydrochloride
SMILESCCC(=O)OC1CN2CCCC1C2.Cl
InChIInChI=1S/C10H17NO2.ClH/c1-2-10(12)13-9-7-11-5-3-4-8(9)6-11;/h8-9H,2-7H2,1H3;1H
InChIKeySYDMFIYQQHIWSN-UHFFFAOYSA-N
XLogP1.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.71
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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
CID 19848695
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
6-Ethoxy-1-azabicyclo[3.2.1]octane;hydrochloride
CID 70421337
1-Azabicyclo[3.2.1]octan-6-yl formate
CID 88631504
Ethyl 1-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)cyclopropane-1-carboxylate
CID 170356955
Methyl 2-methylpropanoate;3-methyl-8-oxa-3-azabicyclo[3.2.1]octane
CID 177187179

Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[3.2.1]octan-6-yl propanoate;hydrochloride?
The IUPAC name of 1-azabicyclo[3.2.1]octan-6-yl propanoate;hydrochloride (CID 19848694) is 1-azabicyclo[3.2.1]octan-6-yl propanoate;hydrochloride.
What is the SMILES notation for 1-azabicyclo[3.2.1]octan-6-yl propanoate;hydrochloride?
The canonical SMILES for 1-azabicyclo[3.2.1]octan-6-yl propanoate;hydrochloride is CCC(=O)OC1CN2CCCC1C2.Cl.
What is the InChIKey of 1-azabicyclo[3.2.1]octan-6-yl propanoate;hydrochloride?
The InChIKey is SYDMFIYQQHIWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2.ClH/c1-2-10(12)13-9-7-11-5-3-4-8(9)6-11;/h8-9H,2-7H2,1H3;1H.
What are the key properties of 1-azabicyclo[3.2.1]octan-6-yl propanoate;hydrochloride?
1-azabicyclo[3.2.1]octan-6-yl propanoate;hydrochloride has a molecular weight of 219.71 g/mol, XLogP of 1.46, 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;hydrochloride is sourced from PubChem (CID 19848694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).