1,2,3,4,5,10-hexahydro-[1,2,4]diazaphosphepino[5,6-b]indole

C10H12N3P — CID 146492364

IUPAC1,2,3,4,5,10-hexahydro-[1,2,4]diazaphosphepino[5,6-b]indole
SMILESc1ccc2c3c([nH]c2c1)PCNNC3
InChIInChI=1S/C10H12N3P/c1-2-4-9-7(3-1)8-5-11-12-6-14-10(8)13-9/h1-4,11-14H,5-6H2
InChIKeyAXCOJFONORYKLB-UHFFFAOYSA-N
MW205.20 g/mol
LogP1.04
Rot. Bonds

About 1,2,3,4,5,10-hexahydro-[1,2,4]diazaphosphepino[5,6-b]indole

1,2,3,4,5,10-hexahydro-[1,2,4]diazaphosphepino[5,6-b]indole (PubChem CID 146492364) has the molecular formula C10H12N3P and a molecular weight of 205.20 g/mol. Its IUPAC name is 1,2,3,4,5,10-hexahydro-[1,2,4]diazaphosphepino[5,6-b]indole.

Molecular Properties

Compound Name1,2,3,4,5,10-hexahydro-[1,2,4]diazaphosphepino[5,6-b]indole
PubChem CID146492364
Molecular FormulaC10H12N3P
Molecular Weight205.20 g/mol
Exact Mass205.08
IUPAC Name1,2,3,4,5,10-hexahydro-[1,2,4]diazaphosphepino[5,6-b]indole
SMILESc1ccc2c3c([nH]c2c1)PCNNC3
InChIInChI=1S/C10H12N3P/c1-2-4-9-7(3-1)8-5-11-12-6-14-10(8)13-9/h1-4,11-14H,5-6H2
InChIKeyAXCOJFONORYKLB-UHFFFAOYSA-N
XLogP1.04
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dihydro-1H-pyrido[4,3-b]indole
CID 68923227
9H-carbazole
CID 66668984
molecular hydrogen;1,2,3,4-tetrahydrocyclopenta[b]indole
CID 162302713
N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)formamide
CID 84581981
3-bromo-4,9-dihydro-3H-carbazole
CID 66807686
9H-carbazole;copper
CID 159878189
bis(9H-carbazole);platinum(2+)
CID 175826437
5,10-dihydroindolo[3,2-b]indole;molecular hydrogen
CID 145382713
ethane;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 158166358
2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole
CID 15192091
[(3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-3-yl]methanol
CID 13375506
9H-carbazole;ethane
CID 91098062

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,10-hexahydro-[1,2,4]diazaphosphepino[5,6-b]indole?
The IUPAC name of 1,2,3,4,5,10-hexahydro-[1,2,4]diazaphosphepino[5,6-b]indole (CID 146492364) is 1,2,3,4,5,10-hexahydro-[1,2,4]diazaphosphepino[5,6-b]indole.
What is the SMILES notation for 1,2,3,4,5,10-hexahydro-[1,2,4]diazaphosphepino[5,6-b]indole?
The canonical SMILES for 1,2,3,4,5,10-hexahydro-[1,2,4]diazaphosphepino[5,6-b]indole is c1ccc2c3c([nH]c2c1)PCNNC3.
What is the InChIKey of 1,2,3,4,5,10-hexahydro-[1,2,4]diazaphosphepino[5,6-b]indole?
The InChIKey is AXCOJFONORYKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N3P/c1-2-4-9-7(3-1)8-5-11-12-6-14-10(8)13-9/h1-4,11-14H,5-6H2.
What are the key properties of 1,2,3,4,5,10-hexahydro-[1,2,4]diazaphosphepino[5,6-b]indole?
1,2,3,4,5,10-hexahydro-[1,2,4]diazaphosphepino[5,6-b]indole has a molecular weight of 205.20 g/mol, XLogP of 1.04, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,10-hexahydro-[1,2,4]diazaphosphepino[5,6-b]indole is sourced from PubChem (CID 146492364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).