2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbaldehyde

C10H11NO — CID 82415425

IUPAC2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbaldehyde
SMILESCc1nc2c(cc1C=O)CCC2
InChIInChI=1S/C10H11NO/c1-7-9(6-12)5-8-3-2-4-10(8)11-7/h5-6H,2-4H2,1H3
InChIKeyITHKMTCTXFRPPJ-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.69
Rot. Bonds1

About 2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbaldehyde

2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbaldehyde (PubChem CID 82415425) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbaldehyde
PubChem CID82415425
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbaldehyde
SMILESCc1nc2c(cc1C=O)CCC2
InChIInChI=1S/C10H11NO/c1-7-9(6-12)5-8-3-2-4-10(8)11-7/h5-6H,2-4H2,1H3
InChIKeyITHKMTCTXFRPPJ-UHFFFAOYSA-N
XLogP1.69
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde
CID 163905685
4-deuterio-2-methoxy-5,6,7,8-tetrahydroquinoline-3-carbaldehyde
CID 54471711
2-methyl-3-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 20824284
N-[(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methyl]propan-1-amine
CID 82452222
N-tert-butyl-2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 168938283
2-methylpropane;(2E)-2-[(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)methylidene]hexanoic acid
CID 155725884
2-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)propan-2-amine
CID 82452293
N-methyl-1-(2-methyl-5,6,7,8-tetrahydroquinolin-3-yl)methanamine
CID 82452273
5,5-dideuterio-2-(dimethoxymethyl)-7,8-dihydro-6H-quinoline-3-carbaldehyde
CID 159500959
3-methyl-5,6,7,8-tetrahydro-[1,2]oxazolo[4,5-b]quinoline
CID 15105634
2-bromo-3-methyl-5,6,7,8-tetrahydroquinoline
CID 10105092
6,7-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbaldehyde
CID 82450945

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbaldehyde?
The IUPAC name of 2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbaldehyde (CID 82415425) is 2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbaldehyde?
The canonical SMILES for 2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbaldehyde is Cc1nc2c(cc1C=O)CCC2.
What is the InChIKey of 2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbaldehyde?
The InChIKey is ITHKMTCTXFRPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-7-9(6-12)5-8-3-2-4-10(8)11-7/h5-6H,2-4H2,1H3.
What are the key properties of 2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbaldehyde?
2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbaldehyde has a molecular weight of 161.20 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbaldehyde is sourced from PubChem (CID 82415425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).