3,3a,10,11-tetrahydro-2H-naphtho[1,2-g]indolizin-1-one

C16H15NO — CID 4526805

IUPAC3,3a,10,11-tetrahydro-2H-naphtho[1,2-g]indolizin-1-one
SMILESO=C1CCC2c3ccc4ccccc4c3CCN12
InChIInChI=1S/C16H15NO/c18-16-8-7-15-14-6-5-11-3-1-2-4-12(11)13(14)9-10-17(15)16/h1-6,15H,7-10H2
InChIKeyCXGOPWBYMXNTOM-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.06
Rot. Bonds

About 3,3a,10,11-tetrahydro-2H-naphtho[1,2-g]indolizin-1-one

3,3a,10,11-tetrahydro-2H-naphtho[1,2-g]indolizin-1-one (PubChem CID 4526805) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 3,3a,10,11-tetrahydro-2H-naphtho[1,2-g]indolizin-1-one.

Molecular Properties

Compound Name3,3a,10,11-tetrahydro-2H-naphtho[1,2-g]indolizin-1-one
PubChem CID4526805
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name3,3a,10,11-tetrahydro-2H-naphtho[1,2-g]indolizin-1-one
SMILESO=C1CCC2c3ccc4ccccc4c3CCN12
InChIInChI=1S/C16H15NO/c18-16-8-7-15-14-6-5-11-3-1-2-4-12(11)13(14)9-10-17(15)16/h1-6,15H,7-10H2
InChIKeyCXGOPWBYMXNTOM-UHFFFAOYSA-N
XLogP3.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3a,10,11-tetrahydro-2H-naphtho[1,2-g]indolizin-1-one?
The IUPAC name of 3,3a,10,11-tetrahydro-2H-naphtho[1,2-g]indolizin-1-one (CID 4526805) is 3,3a,10,11-tetrahydro-2H-naphtho[1,2-g]indolizin-1-one.
What is the SMILES notation for 3,3a,10,11-tetrahydro-2H-naphtho[1,2-g]indolizin-1-one?
The canonical SMILES for 3,3a,10,11-tetrahydro-2H-naphtho[1,2-g]indolizin-1-one is O=C1CCC2c3ccc4ccccc4c3CCN12.
What is the InChIKey of 3,3a,10,11-tetrahydro-2H-naphtho[1,2-g]indolizin-1-one?
The InChIKey is CXGOPWBYMXNTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c18-16-8-7-15-14-6-5-11-3-1-2-4-12(11)13(14)9-10-17(15)16/h1-6,15H,7-10H2.
What are the key properties of 3,3a,10,11-tetrahydro-2H-naphtho[1,2-g]indolizin-1-one?
3,3a,10,11-tetrahydro-2H-naphtho[1,2-g]indolizin-1-one has a molecular weight of 237.30 g/mol, XLogP of 3.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,10,11-tetrahydro-2H-naphtho[1,2-g]indolizin-1-one is sourced from PubChem (CID 4526805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).