6-[diphosphanyl(phosphanyl)phosphanyl]-4-propyl-2,5-dihydro-1H-pyrido[3,4-e][1,3]diazepin-3-one

C11H19N3OP4 — CID 23597356

IUPAC6-[diphosphanyl(phosphanyl)phosphanyl]-4-propyl-2,5-dihydro-1H-pyrido[3,4-e][1,3]diazepin-3-one
SMILESCCCN1Cc2c(ccnc2P(P)PP)CNC1=O
InChIInChI=1S/C11H19N3OP4/c1-2-5-14-7-9-8(6-13-11(14)15)3-4-12-10(9)19(17)18-16/h3-4,18H,2,5-7,16-17H2,1H3,(H,13,15)
InChIKeyCJRXJALJTJRDSL-UHFFFAOYSA-N
MW333.19 g/mol
LogP2.80
Rot. Bonds4

About 6-[diphosphanyl(phosphanyl)phosphanyl]-4-propyl-2,5-dihydro-1H-pyrido[3,4-e][1,3]diazepin-3-one

6-[diphosphanyl(phosphanyl)phosphanyl]-4-propyl-2,5-dihydro-1H-pyrido[3,4-e][1,3]diazepin-3-one (PubChem CID 23597356) has the molecular formula C11H19N3OP4 and a molecular weight of 333.19 g/mol. Its IUPAC name is 6-[diphosphanyl(phosphanyl)phosphanyl]-4-propyl-2,5-dihydro-1H-pyrido[3,4-e][1,3]diazepin-3-one.

Molecular Properties

Compound Name6-[diphosphanyl(phosphanyl)phosphanyl]-4-propyl-2,5-dihydro-1H-pyrido[3,4-e][1,3]diazepin-3-one
PubChem CID23597356
Molecular FormulaC11H19N3OP4
Molecular Weight333.19 g/mol
Exact Mass333.05
IUPAC Name6-[diphosphanyl(phosphanyl)phosphanyl]-4-propyl-2,5-dihydro-1H-pyrido[3,4-e][1,3]diazepin-3-one
SMILESCCCN1Cc2c(ccnc2P(P)PP)CNC1=O
InChIInChI=1S/C11H19N3OP4/c1-2-5-14-7-9-8(6-13-11(14)15)3-4-12-10(9)19(17)18-16/h3-4,18H,2,5-7,16-17H2,1H3,(H,13,15)
InChIKeyCJRXJALJTJRDSL-UHFFFAOYSA-N
XLogP2.80
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[diphosphanyl(phosphanyl)phosphanyl]-4-propyl-2,5-dihydro-1H-pyrido[3,4-e][1,3]diazepin-3-one?
The IUPAC name of 6-[diphosphanyl(phosphanyl)phosphanyl]-4-propyl-2,5-dihydro-1H-pyrido[3,4-e][1,3]diazepin-3-one (CID 23597356) is 6-[diphosphanyl(phosphanyl)phosphanyl]-4-propyl-2,5-dihydro-1H-pyrido[3,4-e][1,3]diazepin-3-one.
What is the SMILES notation for 6-[diphosphanyl(phosphanyl)phosphanyl]-4-propyl-2,5-dihydro-1H-pyrido[3,4-e][1,3]diazepin-3-one?
The canonical SMILES for 6-[diphosphanyl(phosphanyl)phosphanyl]-4-propyl-2,5-dihydro-1H-pyrido[3,4-e][1,3]diazepin-3-one is CCCN1Cc2c(ccnc2P(P)PP)CNC1=O.
What is the InChIKey of 6-[diphosphanyl(phosphanyl)phosphanyl]-4-propyl-2,5-dihydro-1H-pyrido[3,4-e][1,3]diazepin-3-one?
The InChIKey is CJRXJALJTJRDSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OP4/c1-2-5-14-7-9-8(6-13-11(14)15)3-4-12-10(9)19(17)18-16/h3-4,18H,2,5-7,16-17H2,1H3,(H,13,15).
What are the key properties of 6-[diphosphanyl(phosphanyl)phosphanyl]-4-propyl-2,5-dihydro-1H-pyrido[3,4-e][1,3]diazepin-3-one?
6-[diphosphanyl(phosphanyl)phosphanyl]-4-propyl-2,5-dihydro-1H-pyrido[3,4-e][1,3]diazepin-3-one has a molecular weight of 333.19 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[diphosphanyl(phosphanyl)phosphanyl]-4-propyl-2,5-dihydro-1H-pyrido[3,4-e][1,3]diazepin-3-one is sourced from PubChem (CID 23597356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).