2,3,3a,4,5,6,7,7a-octahydro-1H-benzo[d][1,3,2]diazaphosphole

C6H13N2P — CID 134240480

IUPAC2,3,3a,4,5,6,7,7a-octahydro-1H-benzo[d][1,3,2]diazaphosphole
SMILESC1CCC2NPNC2C1
InChIInChI=1S/C6H13N2P/c1-2-4-6-5(3-1)7-9-8-6/h5-9H,1-4H2
InChIKeyRLCZKQRCUWIKCC-UHFFFAOYSA-N
MW144.16 g/mol
LogP1.00
Rot. Bonds

About 2,3,3a,4,5,6,7,7a-octahydro-1H-benzo[d][1,3,2]diazaphosphole

2,3,3a,4,5,6,7,7a-octahydro-1H-benzo[d][1,3,2]diazaphosphole (PubChem CID 134240480) has the molecular formula C6H13N2P and a molecular weight of 144.16 g/mol. Its IUPAC name is 2,3,3a,4,5,6,7,7a-octahydro-1H-benzo[d][1,3,2]diazaphosphole.

Molecular Properties

Compound Name2,3,3a,4,5,6,7,7a-octahydro-1H-benzo[d][1,3,2]diazaphosphole
PubChem CID134240480
Molecular FormulaC6H13N2P
Molecular Weight144.16 g/mol
Exact Mass144.08
IUPAC Name2,3,3a,4,5,6,7,7a-octahydro-1H-benzo[d][1,3,2]diazaphosphole
SMILESC1CCC2NPNC2C1
InChIInChI=1S/C6H13N2P/c1-2-4-6-5(3-1)7-9-8-6/h5-9H,1-4H2
InChIKeyRLCZKQRCUWIKCC-UHFFFAOYSA-N
XLogP1.00
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.16
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-pyrrolidin-2-ylpiperidine
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2,3-dichloro-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
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(2S,3S,4aR,8aR)-2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
CID 102313628
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CID 15423024
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CID 89003574
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7-thia-8-azabicyclo[4.2.0]octane
CID 170004830
(1R,11R,16R,26R)-2,6,10,17,21,25-hexazatricyclo[24.4.0.011,16]triacontane
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CID 4031549

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-benzo[d][1,3,2]diazaphosphole?
The IUPAC name of 2,3,3a,4,5,6,7,7a-octahydro-1H-benzo[d][1,3,2]diazaphosphole (CID 134240480) is 2,3,3a,4,5,6,7,7a-octahydro-1H-benzo[d][1,3,2]diazaphosphole.
What is the SMILES notation for 2,3,3a,4,5,6,7,7a-octahydro-1H-benzo[d][1,3,2]diazaphosphole?
The canonical SMILES for 2,3,3a,4,5,6,7,7a-octahydro-1H-benzo[d][1,3,2]diazaphosphole is C1CCC2NPNC2C1.
What is the InChIKey of 2,3,3a,4,5,6,7,7a-octahydro-1H-benzo[d][1,3,2]diazaphosphole?
The InChIKey is RLCZKQRCUWIKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N2P/c1-2-4-6-5(3-1)7-9-8-6/h5-9H,1-4H2.
What are the key properties of 2,3,3a,4,5,6,7,7a-octahydro-1H-benzo[d][1,3,2]diazaphosphole?
2,3,3a,4,5,6,7,7a-octahydro-1H-benzo[d][1,3,2]diazaphosphole has a molecular weight of 144.16 g/mol, XLogP of 1.00, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,6,7,7a-octahydro-1H-benzo[d][1,3,2]diazaphosphole is sourced from PubChem (CID 134240480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).