1-[ethoxy(phenyl)phosphoryl]cyclopropane-1-carbonitrile

C12H14NO2P — CID 876291

IUPAC1-[ethoxy(phenyl)phosphoryl]cyclopropane-1-carbonitrile
SMILESCCOP(=O)(c1ccccc1)C1(C#N)CC1
InChIInChI=1S/C12H14NO2P/c1-2-15-16(14,12(10-13)8-9-12)11-6-4-3-5-7-11/h3-7H,2,8-9H2,1H3
InChIKeyJZFGVBDJAWRJQE-UHFFFAOYSA-N
MW235.22 g/mol
LogP2.68
Rot. Bonds4

About 1-[ethoxy(phenyl)phosphoryl]cyclopropane-1-carbonitrile

1-[ethoxy(phenyl)phosphoryl]cyclopropane-1-carbonitrile (PubChem CID 876291) has the molecular formula C12H14NO2P and a molecular weight of 235.22 g/mol. Its IUPAC name is 1-[ethoxy(phenyl)phosphoryl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[ethoxy(phenyl)phosphoryl]cyclopropane-1-carbonitrile
PubChem CID876291
Molecular FormulaC12H14NO2P
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC Name1-[ethoxy(phenyl)phosphoryl]cyclopropane-1-carbonitrile
SMILESCCOP(=O)(c1ccccc1)C1(C#N)CC1
InChIInChI=1S/C12H14NO2P/c1-2-15-16(14,12(10-13)8-9-12)11-6-4-3-5-7-11/h3-7H,2,8-9H2,1H3
InChIKeyJZFGVBDJAWRJQE-UHFFFAOYSA-N
XLogP2.68
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[ethoxy(phenyl)phosphoryl]cyclobutane-1-carbonitrile
CID 876393
1-[ethoxy(phenyl)phosphoryl]ethylbenzene
CID 11778094
N-benzyl-1-[ethoxy(phenyl)phosphoryl]-2,3-dihydroinden-1-amine
CID 135391786
[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634
[[(S)-diethoxyphosphoryl(fluoro)methyl]-ethoxyphosphoryl]benzene
CID 10449767
2,2,2-trichloro-1-[ethoxy(phenyl)phosphoryl]ethanol
CID 46220815
[ethoxy-[[ethoxy(phenyl)phosphoryl]-[ethoxy(phenyl)phosphoryl]sulfanylmethyl]phosphoryl]benzene
CID 23280723
[ethoxy(phenyl)phosphoryl]oxybenzene
CID 12735424
1-[ethoxy(phenyl)phosphoryl]-4-phenylbenzene
CID 162415122
1-[ethoxy(phenyl)phosphoryl]-4-methylbenzene
CID 11543464
1-[ethoxy(phenyl)phosphoryl]-3-methyl-N-[(1S)-1-phenylethyl]butan-1-amine
CID 101246297
(2S)-2-[ethoxy(phenyl)phosphoryl]-1-phenylbutan-1-one
CID 11861697

Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy(phenyl)phosphoryl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[ethoxy(phenyl)phosphoryl]cyclopropane-1-carbonitrile (CID 876291) is 1-[ethoxy(phenyl)phosphoryl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[ethoxy(phenyl)phosphoryl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[ethoxy(phenyl)phosphoryl]cyclopropane-1-carbonitrile is CCOP(=O)(c1ccccc1)C1(C#N)CC1.
What is the InChIKey of 1-[ethoxy(phenyl)phosphoryl]cyclopropane-1-carbonitrile?
The InChIKey is JZFGVBDJAWRJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14NO2P/c1-2-15-16(14,12(10-13)8-9-12)11-6-4-3-5-7-11/h3-7H,2,8-9H2,1H3.
What are the key properties of 1-[ethoxy(phenyl)phosphoryl]cyclopropane-1-carbonitrile?
1-[ethoxy(phenyl)phosphoryl]cyclopropane-1-carbonitrile has a molecular weight of 235.22 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(phenyl)phosphoryl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 876291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).