4-chloro-N-methyl-N-oxido-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine

C9H10ClN2O- — CID 163970998

IUPAC4-chloro-N-methyl-N-oxido-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine
SMILESCN([O-])c1cnc2c(c1Cl)CCC2
InChIInChI=1S/C9H10ClN2O/c1-12(13)8-5-11-7-4-2-3-6(7)9(8)10/h5H,2-4H2,1H3/q-1
InChIKeyONFJAKNGZUUGMX-UHFFFAOYSA-N
MW197.65 g/mol
LogP2.16
Rot. Bonds1

About 4-chloro-N-methyl-N-oxido-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine

4-chloro-N-methyl-N-oxido-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine (PubChem CID 163970998) has the molecular formula C9H10ClN2O- and a molecular weight of 197.65 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-oxido-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-N-oxido-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine
PubChem CID163970998
Molecular FormulaC9H10ClN2O-
Molecular Weight197.65 g/mol
Exact Mass197.05
IUPAC Name4-chloro-N-methyl-N-oxido-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine
SMILESCN([O-])c1cnc2c(c1Cl)CCC2
InChIInChI=1S/C9H10ClN2O/c1-12(13)8-5-11-7-4-2-3-6(7)9(8)10/h5H,2-4H2,1H3/q-1
InChIKeyONFJAKNGZUUGMX-UHFFFAOYSA-N
XLogP2.16
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.65
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-chloro-N-methyl-N-oxido-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine
CID 131589354
4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-3-amine
CID 86171458
4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 23008697
2,4-dichloro-5,6,7,8-tetrahydroquinolin-3-amine;ethane
CID 91428696
4-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 82375874
9-chloro-5-ethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 61381987
4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63350898
11-chloro-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),8,11,16-pentaene
CID 55186181
9-chloro-6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 61381881
4-chloro-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine
CID 133056624
1-(4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)-N,N-dimethylmethanamine
CID 79078275
3-ethynyl-4-methyl-5,6,7,8-tetrahydroquinoline
CID 164587220

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-oxido-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine?
The IUPAC name of 4-chloro-N-methyl-N-oxido-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine (CID 163970998) is 4-chloro-N-methyl-N-oxido-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine.
What is the SMILES notation for 4-chloro-N-methyl-N-oxido-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine?
The canonical SMILES for 4-chloro-N-methyl-N-oxido-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine is CN([O-])c1cnc2c(c1Cl)CCC2.
What is the InChIKey of 4-chloro-N-methyl-N-oxido-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine?
The InChIKey is ONFJAKNGZUUGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN2O/c1-12(13)8-5-11-7-4-2-3-6(7)9(8)10/h5H,2-4H2,1H3/q-1.
What are the key properties of 4-chloro-N-methyl-N-oxido-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine?
4-chloro-N-methyl-N-oxido-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine has a molecular weight of 197.65 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-oxido-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine is sourced from PubChem (CID 163970998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).