2'-methylspiro[3H-cyclopenta[a]naphthalene-2,3'-indole]-1-one

C21H15NO — CID 172635557

IUPAC2'-methylspiro[3H-cyclopenta[a]naphthalene-2,3'-indole]-1-one
SMILESCC1=Nc2ccccc2C12Cc1ccc3ccccc3c1C2=O
InChIInChI=1S/C21H15NO/c1-13-21(17-8-4-5-9-18(17)22-13)12-15-11-10-14-6-2-3-7-16(14)19(15)20(21)23/h2-11H,12H2,1H3
InChIKeyKZDIEWHIMHROIC-UHFFFAOYSA-N
MW297.36 g/mol
LogP4.62
Rot. Bonds

About 2'-methylspiro[3H-cyclopenta[a]naphthalene-2,3'-indole]-1-one

2'-methylspiro[3H-cyclopenta[a]naphthalene-2,3'-indole]-1-one (PubChem CID 172635557) has the molecular formula C21H15NO and a molecular weight of 297.36 g/mol. Its IUPAC name is 2'-methylspiro[3H-cyclopenta[a]naphthalene-2,3'-indole]-1-one.

Molecular Properties

Compound Name2'-methylspiro[3H-cyclopenta[a]naphthalene-2,3'-indole]-1-one
PubChem CID172635557
Molecular FormulaC21H15NO
Molecular Weight297.36 g/mol
Exact Mass297.12
IUPAC Name2'-methylspiro[3H-cyclopenta[a]naphthalene-2,3'-indole]-1-one
SMILESCC1=Nc2ccccc2C12Cc1ccc3ccccc3c1C2=O
InChIInChI=1S/C21H15NO/c1-13-21(17-8-4-5-9-18(17)22-13)12-15-11-10-14-6-2-3-7-16(14)19(15)20(21)23/h2-11H,12H2,1H3
InChIKeyKZDIEWHIMHROIC-UHFFFAOYSA-N
XLogP4.62
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1H-Indene-1,3(2H)-dione, 2-[[(2-methylphenyl)imino]phenylmethyl]-
CID 335118
2-Phenylimino-2H-acenaphthylen-1-one
CID 4530276
(2S)-6'-fluoro-2'-phenylspiro[3H-indene-2,3'-indole]-1-one
CID 134957996
7-fluoro-2'-methylspiro[indene-2,3'-indol]-1(3H)-one
CID 172635546
5-fluoro-2'-methylspiro[indene-2,3'-indol]-1(3H)-one
CID 172635550
4-fluoro-2'-methylspiro[indene-2,3'-indol]-1(3H)-one
CID 172635551
5'-fluoro-2'-methylspiro[indene-2,3'-indol]-1(3H)-one
CID 172635559
6-fluoro-2',5'-dimethylspiro[indene-2,3'-indol]-1(3H)-one
CID 172635561
5,5'-difluoro-2'-methylspiro[indene-2,3'-indol]-1(3H)-one
CID 172635566
2',5'-dimethyl-5-(trifluoromethyl)spiro[indene-2,3'-indol]-1(3H)-one
CID 172635569
4,5'-difluoro-2'-methylspiro[indene-2,3'-indol]-1(3H)-one
CID 172635570
6-fluoro-2'-phenylspiro[indene-2,3'-indol]-1(3H)-one
CID 172635581

Frequently Asked Questions

What is the IUPAC name of 2'-methylspiro[3H-cyclopenta[a]naphthalene-2,3'-indole]-1-one?
The IUPAC name of 2'-methylspiro[3H-cyclopenta[a]naphthalene-2,3'-indole]-1-one (CID 172635557) is 2'-methylspiro[3H-cyclopenta[a]naphthalene-2,3'-indole]-1-one.
What is the SMILES notation for 2'-methylspiro[3H-cyclopenta[a]naphthalene-2,3'-indole]-1-one?
The canonical SMILES for 2'-methylspiro[3H-cyclopenta[a]naphthalene-2,3'-indole]-1-one is CC1=Nc2ccccc2C12Cc1ccc3ccccc3c1C2=O.
What is the InChIKey of 2'-methylspiro[3H-cyclopenta[a]naphthalene-2,3'-indole]-1-one?
The InChIKey is KZDIEWHIMHROIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO/c1-13-21(17-8-4-5-9-18(17)22-13)12-15-11-10-14-6-2-3-7-16(14)19(15)20(21)23/h2-11H,12H2,1H3.
What are the key properties of 2'-methylspiro[3H-cyclopenta[a]naphthalene-2,3'-indole]-1-one?
2'-methylspiro[3H-cyclopenta[a]naphthalene-2,3'-indole]-1-one has a molecular weight of 297.36 g/mol, XLogP of 4.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-methylspiro[3H-cyclopenta[a]naphthalene-2,3'-indole]-1-one is sourced from PubChem (CID 172635557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).