2-(phosphinan-3-ylidene)acetonitrile

C7H10NP — CID 175061441

IUPAC2-(phosphinan-3-ylidene)acetonitrile
SMILESN#CC=C1CCCPC1
InChIInChI=1S/C7H10NP/c8-4-3-7-2-1-5-9-6-7/h3,9H,1-2,5-6H2
InChIKeyVJKNGPDUYWPCCK-UHFFFAOYSA-N
MW139.14 g/mol
LogP1.91
Rot. Bonds

About 2-(phosphinan-3-ylidene)acetonitrile

2-(phosphinan-3-ylidene)acetonitrile (PubChem CID 175061441) has the molecular formula C7H10NP and a molecular weight of 139.14 g/mol. Its IUPAC name is 2-(phosphinan-3-ylidene)acetonitrile.

Molecular Properties

Compound Name2-(phosphinan-3-ylidene)acetonitrile
PubChem CID175061441
Molecular FormulaC7H10NP
Molecular Weight139.14 g/mol
Exact Mass139.06
IUPAC Name2-(phosphinan-3-ylidene)acetonitrile
SMILESN#CC=C1CCCPC1
InChIInChI=1S/C7H10NP/c8-4-3-7-2-1-5-9-6-7/h3,9H,1-2,5-6H2
InChIKeyVJKNGPDUYWPCCK-UHFFFAOYSA-N
XLogP1.91
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.14
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(phosphinan-3-ylidene)acetonitrile?
The IUPAC name of 2-(phosphinan-3-ylidene)acetonitrile (CID 175061441) is 2-(phosphinan-3-ylidene)acetonitrile.
What is the SMILES notation for 2-(phosphinan-3-ylidene)acetonitrile?
The canonical SMILES for 2-(phosphinan-3-ylidene)acetonitrile is N#CC=C1CCCPC1.
What is the InChIKey of 2-(phosphinan-3-ylidene)acetonitrile?
The InChIKey is VJKNGPDUYWPCCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10NP/c8-4-3-7-2-1-5-9-6-7/h3,9H,1-2,5-6H2.
What are the key properties of 2-(phosphinan-3-ylidene)acetonitrile?
2-(phosphinan-3-ylidene)acetonitrile has a molecular weight of 139.14 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phosphinan-3-ylidene)acetonitrile is sourced from PubChem (CID 175061441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).