4-methyl-1,2,3,7-tetrahydrocyclohepta[e]indolizin-5-one

C14H15NO — CID 169152842

IUPAC4-methyl-1,2,3,7-tetrahydrocyclohepta[e]indolizin-5-one
SMILESCc1c2n(c3c(c1=O)=CCC=CC=3)CCC2
InChIInChI=1S/C14H15NO/c1-10-12-8-5-9-15(12)13-7-4-2-3-6-11(13)14(10)16/h2,4,6-7H,3,5,8-9H2,1H3
InChIKeyCCFUYFBXAKMPCY-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.62
Rot. Bonds

About 4-methyl-1,2,3,7-tetrahydrocyclohepta[e]indolizin-5-one

4-methyl-1,2,3,7-tetrahydrocyclohepta[e]indolizin-5-one (PubChem CID 169152842) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-methyl-1,2,3,7-tetrahydrocyclohepta[e]indolizin-5-one.

Molecular Properties

Compound Name4-methyl-1,2,3,7-tetrahydrocyclohepta[e]indolizin-5-one
PubChem CID169152842
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name4-methyl-1,2,3,7-tetrahydrocyclohepta[e]indolizin-5-one
SMILESCc1c2n(c3c(c1=O)=CCC=CC=3)CCC2
InChIInChI=1S/C14H15NO/c1-10-12-8-5-9-15(12)13-7-4-2-3-6-11(13)14(10)16/h2,4,6-7H,3,5,8-9H2,1H3
InChIKeyCCFUYFBXAKMPCY-UHFFFAOYSA-N
XLogP0.62
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2,3,7-tetrahydrocyclohepta[e]indolizin-5-one?
The IUPAC name of 4-methyl-1,2,3,7-tetrahydrocyclohepta[e]indolizin-5-one (CID 169152842) is 4-methyl-1,2,3,7-tetrahydrocyclohepta[e]indolizin-5-one.
What is the SMILES notation for 4-methyl-1,2,3,7-tetrahydrocyclohepta[e]indolizin-5-one?
The canonical SMILES for 4-methyl-1,2,3,7-tetrahydrocyclohepta[e]indolizin-5-one is Cc1c2n(c3c(c1=O)=CCC=CC=3)CCC2.
What is the InChIKey of 4-methyl-1,2,3,7-tetrahydrocyclohepta[e]indolizin-5-one?
The InChIKey is CCFUYFBXAKMPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-10-12-8-5-9-15(12)13-7-4-2-3-6-11(13)14(10)16/h2,4,6-7H,3,5,8-9H2,1H3.
What are the key properties of 4-methyl-1,2,3,7-tetrahydrocyclohepta[e]indolizin-5-one?
4-methyl-1,2,3,7-tetrahydrocyclohepta[e]indolizin-5-one has a molecular weight of 213.28 g/mol, XLogP of 0.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2,3,7-tetrahydrocyclohepta[e]indolizin-5-one is sourced from PubChem (CID 169152842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).