4-methylspiro[6H-pyrrolo[3,4-b]pyridine-7,1'-cyclohexane]-5-one

C13H16N2O — CID 150763425

IUPAC4-methylspiro[6H-pyrrolo[3,4-b]pyridine-7,1'-cyclohexane]-5-one
SMILESCc1ccnc2c1C(=O)NC21CCCCC1
InChIInChI=1S/C13H16N2O/c1-9-5-8-14-11-10(9)12(16)15-13(11)6-3-2-4-7-13/h5,8H,2-4,6-7H2,1H3,(H,15,16)
InChIKeyJYHVMFCMJXXRAP-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.29
Rot. Bonds

About 4-methylspiro[6H-pyrrolo[3,4-b]pyridine-7,1'-cyclohexane]-5-one

4-methylspiro[6H-pyrrolo[3,4-b]pyridine-7,1'-cyclohexane]-5-one (PubChem CID 150763425) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 4-methylspiro[6H-pyrrolo[3,4-b]pyridine-7,1'-cyclohexane]-5-one.

Molecular Properties

Compound Name4-methylspiro[6H-pyrrolo[3,4-b]pyridine-7,1'-cyclohexane]-5-one
PubChem CID150763425
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name4-methylspiro[6H-pyrrolo[3,4-b]pyridine-7,1'-cyclohexane]-5-one
SMILESCc1ccnc2c1C(=O)NC21CCCCC1
InChIInChI=1S/C13H16N2O/c1-9-5-8-14-11-10(9)12(16)15-13(11)6-3-2-4-7-13/h5,8H,2-4,6-7H2,1H3,(H,15,16)
InChIKeyJYHVMFCMJXXRAP-UHFFFAOYSA-N
XLogP2.29
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129285993
N-[5-chloro-6-[(4-methyl-5-oxospiro[6H-pyrrolo[3,4-b]pyridine-7,1'-cyclohexane]-2-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 129071436
4-hydroxy-3-(4-iodo-2,6-dimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one
CID 59142003
9-methylspiro[4,5-dihydro-1H-pyrido[2,3-b][1,4]diazepine-3,1'-cycloheptane]-2-one
CID 115444966
N-[5-methoxy-6-[(4-methyl-5-oxospiro[6H-pyrrolo[3,4-b]pyridine-7,1'-cyclohexane]-2-yl)amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 129071337
2-bromospiro[5H-pyrrolo[3,4-d][1,3]thiazole-4,1'-cyclohexane]-6-one
CID 169086907
4-[(7-methyl-1-oxospiro[2H-isoindole-3,1'-cyclohexane]-5-yl)amino]pyrimidine-5-carboxamide
CID 129071350
5-[(6-amino-5-methylpyrimidin-4-yl)amino]-7-fluorospiro[2H-isoindole-3,1'-cyclohexane]-1-one
CID 129071309
5,9-dimethylspiro[1,3-dihydropyrido[2,3-b][1,4]diazepine-4,1'-cyclohexane]-2-one
CID 79293759
4-[(4-methyl-3-pyridinyl)methyl]-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 114957798
CID 12710746
CID 12710746
5-[[6-amino-5-(3-aminopropoxy)pyrimidin-4-yl]amino]-7-methylspiro[2H-isoindole-3,1'-cyclohexane]-1-one
CID 129071745

Frequently Asked Questions

What is the IUPAC name of 4-methylspiro[6H-pyrrolo[3,4-b]pyridine-7,1'-cyclohexane]-5-one?
The IUPAC name of 4-methylspiro[6H-pyrrolo[3,4-b]pyridine-7,1'-cyclohexane]-5-one (CID 150763425) is 4-methylspiro[6H-pyrrolo[3,4-b]pyridine-7,1'-cyclohexane]-5-one.
What is the SMILES notation for 4-methylspiro[6H-pyrrolo[3,4-b]pyridine-7,1'-cyclohexane]-5-one?
The canonical SMILES for 4-methylspiro[6H-pyrrolo[3,4-b]pyridine-7,1'-cyclohexane]-5-one is Cc1ccnc2c1C(=O)NC21CCCCC1.
What is the InChIKey of 4-methylspiro[6H-pyrrolo[3,4-b]pyridine-7,1'-cyclohexane]-5-one?
The InChIKey is JYHVMFCMJXXRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9-5-8-14-11-10(9)12(16)15-13(11)6-3-2-4-7-13/h5,8H,2-4,6-7H2,1H3,(H,15,16).
What are the key properties of 4-methylspiro[6H-pyrrolo[3,4-b]pyridine-7,1'-cyclohexane]-5-one?
4-methylspiro[6H-pyrrolo[3,4-b]pyridine-7,1'-cyclohexane]-5-one has a molecular weight of 216.28 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylspiro[6H-pyrrolo[3,4-b]pyridine-7,1'-cyclohexane]-5-one is sourced from PubChem (CID 150763425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).