1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]ethanone

C16H26N2O — CID 11369049

IUPAC1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]ethanone
SMILESCCCN(CCC)[C@H]1CCn2c(ccc2C(C)=O)C1
InChIInChI=1S/C16H26N2O/c1-4-9-17(10-5-2)14-8-11-18-15(12-14)6-7-16(18)13(3)19/h6-7,14H,4-5,8-12H2,1-3H3/t14-/m0/s1
InChIKeyPWCVSHXTKFEXBF-AWEZNQCLSA-N
MW262.40 g/mol
LogP3.13
Rot. Bonds6

About 1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]ethanone

1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]ethanone (PubChem CID 11369049) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]ethanone.

Molecular Properties

Compound Name1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]ethanone
PubChem CID11369049
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]ethanone
SMILESCCCN(CCC)[C@H]1CCn2c(ccc2C(C)=O)C1
InChIInChI=1S/C16H26N2O/c1-4-9-17(10-5-2)14-8-11-18-15(12-14)6-7-16(18)13(3)19/h6-7,14H,4-5,8-12H2,1-3H3/t14-/m0/s1
InChIKeyPWCVSHXTKFEXBF-AWEZNQCLSA-N
XLogP3.13
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]ethanone?
The IUPAC name of 1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]ethanone (CID 11369049) is 1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]ethanone.
What is the SMILES notation for 1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]ethanone?
The canonical SMILES for 1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]ethanone is CCCN(CCC)[C@H]1CCn2c(ccc2C(C)=O)C1.
What is the InChIKey of 1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]ethanone?
The InChIKey is PWCVSHXTKFEXBF-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H26N2O/c1-4-9-17(10-5-2)14-8-11-18-15(12-14)6-7-16(18)13(3)19/h6-7,14H,4-5,8-12H2,1-3H3/t14-/m0/s1.
What are the key properties of 1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]ethanone?
1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]ethanone has a molecular weight of 262.40 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(7S)-7-(dipropylamino)-5,6,7,8-tetrahydroindolizin-3-yl]ethanone is sourced from PubChem (CID 11369049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).