(3-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)phosphane

C8H13N2P — CID 59107048

IUPAC(3-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)phosphane
SMILESCC1=NCC2=C1CN(P)CC2
InChIInChI=1S/C8H13N2P/c1-6-8-5-10(11)3-2-7(8)4-9-6/h2-5,11H2,1H3
InChIKeyXMDNOKKXIKOSNJ-UHFFFAOYSA-N
MW168.18 g/mol
LogP1.25
Rot. Bonds

About (3-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)phosphane

(3-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)phosphane (PubChem CID 59107048) has the molecular formula C8H13N2P and a molecular weight of 168.18 g/mol. Its IUPAC name is (3-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)phosphane.

Molecular Properties

Compound Name(3-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)phosphane
PubChem CID59107048
Molecular FormulaC8H13N2P
Molecular Weight168.18 g/mol
Exact Mass168.08
IUPAC Name(3-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)phosphane
SMILESCC1=NCC2=C1CN(P)CC2
InChIInChI=1S/C8H13N2P/c1-6-8-5-10(11)3-2-7(8)4-9-6/h2-5,11H2,1H3
InChIKeyXMDNOKKXIKOSNJ-UHFFFAOYSA-N
XLogP1.25
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.18
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)phosphane 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

3,5-Dimethyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
CID 58386446
3-Methyl-5-propan-2-yl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
CID 131997923
(5-Methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-3-yl)methanamine
CID 159281232
5-Tert-butyl-3-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
CID 161314046

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)phosphane?
The IUPAC name of (3-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)phosphane (CID 59107048) is (3-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)phosphane.
What is the SMILES notation for (3-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)phosphane?
The canonical SMILES for (3-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)phosphane is CC1=NCC2=C1CN(P)CC2.
What is the InChIKey of (3-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)phosphane?
The InChIKey is XMDNOKKXIKOSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N2P/c1-6-8-5-10(11)3-2-7(8)4-9-6/h2-5,11H2,1H3.
What are the key properties of (3-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)phosphane?
(3-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)phosphane has a molecular weight of 168.18 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridin-5-yl)phosphane is sourced from PubChem (CID 59107048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).