1'-methylspiro[1,2,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine-3,5'-cycloheptene]

C14H24N2 — CID 156796102

IUPAC1'-methylspiro[1,2,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine-3,5'-cycloheptene]
SMILESCC1=CCCC2(CC1)CNC1CCCNC12
InChIInChI=1S/C14H24N2/c1-11-4-2-7-14(8-6-11)10-16-12-5-3-9-15-13(12)14/h4,12-13,15-16H,2-3,5-10H2,1H3
InChIKeyMKFCLLOGPXPIDT-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.22
Rot. Bonds

About 1'-methylspiro[1,2,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine-3,5'-cycloheptene]

1'-methylspiro[1,2,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine-3,5'-cycloheptene] (PubChem CID 156796102) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1'-methylspiro[1,2,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine-3,5'-cycloheptene].

Molecular Properties

Compound Name1'-methylspiro[1,2,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine-3,5'-cycloheptene]
PubChem CID156796102
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1'-methylspiro[1,2,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine-3,5'-cycloheptene]
SMILESCC1=CCCC2(CC1)CNC1CCCNC12
InChIInChI=1S/C14H24N2/c1-11-4-2-7-14(8-6-11)10-16-12-5-3-9-15-13(12)14/h4,12-13,15-16H,2-3,5-10H2,1H3
InChIKeyMKFCLLOGPXPIDT-UHFFFAOYSA-N
XLogP2.22
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1'-methylspiro[1,2,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine-3,5'-cycloheptene] 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

2-Ethyl-3a,5,7-trimethyl-1,2,3,6,7,7a-hexahydroindole
CID 21354338
2-Butyl-5-(2-methylcyclohept-3-en-1-yl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridine
CID 123216341
3-but-3-enyl-1-methyl-3-propyl-3a,4,5,6,7,7a-hexahydro-2H-pyrrolo[3,2-b]pyridine
CID 156532067
2,3,4,4a,5,6,7,7a-octahydro-1H-pyrrolo[3,4-b]pyridine;4,4-dimethylpent-1-ene
CID 156708878
(3aS,4R)-N,3a-dimethyl-1,2,3,4,5,6-hexahydroisoindol-4-amine
CID 164027641
(4E)-4-ethylidene-3-(pyrrolidin-2-ylmethyl)piperidine
CID 166713414
6-(Cyclohexen-1-ylmethyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 175288420
1-[(3R)-3-methyl-1,2,3,6-tetrahydropyridin-5-yl]-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 176569233
5-(1,2,3,6-tetrahydropyridin-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,2-b]pyridine
CID 176569340
1-(3-Methyl-1,2,3,6-tetrahydropyridin-5-yl)-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 176569728
N-(cyclohex-3-en-1-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 43694230
N-[(3,5-dimethylcyclohex-3-en-1-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 103276324

Frequently Asked Questions

What is the IUPAC name of 1'-methylspiro[1,2,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine-3,5'-cycloheptene]?
The IUPAC name of 1'-methylspiro[1,2,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine-3,5'-cycloheptene] (CID 156796102) is 1'-methylspiro[1,2,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine-3,5'-cycloheptene].
What is the SMILES notation for 1'-methylspiro[1,2,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine-3,5'-cycloheptene]?
The canonical SMILES for 1'-methylspiro[1,2,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine-3,5'-cycloheptene] is CC1=CCCC2(CC1)CNC1CCCNC12.
What is the InChIKey of 1'-methylspiro[1,2,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine-3,5'-cycloheptene]?
The InChIKey is MKFCLLOGPXPIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11-4-2-7-14(8-6-11)10-16-12-5-3-9-15-13(12)14/h4,12-13,15-16H,2-3,5-10H2,1H3.
What are the key properties of 1'-methylspiro[1,2,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine-3,5'-cycloheptene]?
1'-methylspiro[1,2,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine-3,5'-cycloheptene] has a molecular weight of 220.36 g/mol, XLogP of 2.22, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methylspiro[1,2,3a,4,5,6,7,7a-octahydropyrrolo[3,2-b]pyridine-3,5'-cycloheptene] is sourced from PubChem (CID 156796102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).