1H-indol-3-ylmethylidenephosphane

C9H8NP — CID 136612599

IUPAC1H-indol-3-ylmethylidenephosphane
SMILES[H]/P=C/c1c[nH]c2ccccc12
InChIInChI=1S/C9H8NP/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10-11H
InChIKeyZCOQQPBNQRYOPF-UHFFFAOYSA-N
MW161.14 g/mol
LogP2.46
Rot. Bonds1

About 1H-indol-3-ylmethylidenephosphane

1H-indol-3-ylmethylidenephosphane (PubChem CID 136612599) has the molecular formula C9H8NP and a molecular weight of 161.14 g/mol. Its IUPAC name is 1H-indol-3-ylmethylidenephosphane.

Molecular Properties

Compound Name1H-indol-3-ylmethylidenephosphane
PubChem CID136612599
Molecular FormulaC9H8NP
Molecular Weight161.14 g/mol
Exact Mass161.04
IUPAC Name1H-indol-3-ylmethylidenephosphane
SMILES[H]/P=C/c1c[nH]c2ccccc12
InChIInChI=1S/C9H8NP/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10-11H
InChIKeyZCOQQPBNQRYOPF-UHFFFAOYSA-N
XLogP2.46
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.14
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2-dibromoethenyl)-1H-indole
CID 130532177
(E)-3-(1H-indol-3-yl)prop-2-enethioamide
CID 119088775
2-(1H-indol-3-yl)ethenyl-methylidyneazanium
CID 162800591
2-hydroxy-3-(1H-indol-3-yl)prop-2-enoic acid
CID 85336038
3-(2-pyridin-2-ylethenyl)-1H-indole
CID 67252498
3-[(E)-3-phenylprop-1-enyl]-1H-indole
CID 89155870
(2E)-2,5-bis(1H-indol-3-ylmethylidene)cyclopentan-1-one
CID 716705
1H-indole-3-carbaldehyde;1H-indole-3-carboxylic acid
CID 87759700
(Z)-2-fluoro-3-(1H-indol-3-yl)prop-2-enoic acid
CID 67920432
(E)-1-(1H-indol-3-yl)-N-piperidin-1-ylmethanimine
CID 135675955
1,3-bis(1H-indol-3-yl)prop-2-en-1-one
CID 4206840
4-[(Z)-2-(1H-indol-3-yl)ethenyl]quinoline
CID 54609523

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-ylmethylidenephosphane?
The IUPAC name of 1H-indol-3-ylmethylidenephosphane (CID 136612599) is 1H-indol-3-ylmethylidenephosphane.
What is the SMILES notation for 1H-indol-3-ylmethylidenephosphane?
The canonical SMILES for 1H-indol-3-ylmethylidenephosphane is [H]/P=C/c1c[nH]c2ccccc12.
What is the InChIKey of 1H-indol-3-ylmethylidenephosphane?
The InChIKey is ZCOQQPBNQRYOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8NP/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10-11H.
What are the key properties of 1H-indol-3-ylmethylidenephosphane?
1H-indol-3-ylmethylidenephosphane has a molecular weight of 161.14 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-ylmethylidenephosphane is sourced from PubChem (CID 136612599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).