(Z)-3-diethoxyphosphoryl-2-(diethylamino)prop-2-enenitrile

C11H21N2O3P — CID 23419742

IUPAC(Z)-3-diethoxyphosphoryl-2-(diethylamino)prop-2-enenitrile
SMILESCCOP(=O)(/C=C(/C#N)N(CC)CC)OCC
InChIInChI=1S/C11H21N2O3P/c1-5-13(6-2)11(9-12)10-17(14,15-7-3)16-8-4/h10H,5-8H2,1-4H3/b11-10-
InChIKeyTVPNYAJWSLQTSN-KHPPLWFESA-N
MW260.27 g/mol
LogP2.96
Rot. Bonds8

About (Z)-3-diethoxyphosphoryl-2-(diethylamino)prop-2-enenitrile

(Z)-3-diethoxyphosphoryl-2-(diethylamino)prop-2-enenitrile (PubChem CID 23419742) has the molecular formula C11H21N2O3P and a molecular weight of 260.27 g/mol. Its IUPAC name is (Z)-3-diethoxyphosphoryl-2-(diethylamino)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-diethoxyphosphoryl-2-(diethylamino)prop-2-enenitrile
PubChem CID23419742
Molecular FormulaC11H21N2O3P
Molecular Weight260.27 g/mol
Exact Mass260.13
IUPAC Name(Z)-3-diethoxyphosphoryl-2-(diethylamino)prop-2-enenitrile
SMILESCCOP(=O)(/C=C(/C#N)N(CC)CC)OCC
InChIInChI=1S/C11H21N2O3P/c1-5-13(6-2)11(9-12)10-17(14,15-7-3)16-8-4/h10H,5-8H2,1-4H3/b11-10-
InChIKeyTVPNYAJWSLQTSN-KHPPLWFESA-N
XLogP2.96
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-2-cyano-3-diethoxyphosphorylprop-2-enoate
CID 5383980
2-diethoxyphosphoryl-1-ethoxyethenol
CID 15972171
(1E,3Z)-4-diethoxyphosphoryl-1-ethoxybuta-1,3-diene-1,3-diol
CID 134871026
(E)-1,2-bis(diethoxyphosphoryl)prop-1-ene
CID 14294563
3-diethoxyphosphoryl-2-methylprop-2-enoic acid
CID 71398288
1-chloro-2-diethoxyphosphoryl-1-methylsulfanylethene
CID 71394158
5-(diethoxyphosphorylmethylidene)nonane
CID 10660090
[amino(ethoxy)phosphoryl]formonitrile
CID 15249953
2-diethoxyphosphoryl-N,N-diethylacetamide
CID 13124144
(E)-2-diethoxyphosphoryl-1-hexoxyethenol
CID 46944644
(Z)-1-diethoxyphosphoryl-2,3-dimethyl-3-nitrobut-1-ene
CID 23421847
(E)-1-diethoxyphosphoryl-2-methylhept-1-ene
CID 10753066

Frequently Asked Questions

What is the IUPAC name of (Z)-3-diethoxyphosphoryl-2-(diethylamino)prop-2-enenitrile?
The IUPAC name of (Z)-3-diethoxyphosphoryl-2-(diethylamino)prop-2-enenitrile (CID 23419742) is (Z)-3-diethoxyphosphoryl-2-(diethylamino)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-diethoxyphosphoryl-2-(diethylamino)prop-2-enenitrile?
The canonical SMILES for (Z)-3-diethoxyphosphoryl-2-(diethylamino)prop-2-enenitrile is CCOP(=O)(/C=C(/C#N)N(CC)CC)OCC.
What is the InChIKey of (Z)-3-diethoxyphosphoryl-2-(diethylamino)prop-2-enenitrile?
The InChIKey is TVPNYAJWSLQTSN-KHPPLWFESA-N. The full InChI is InChI=1S/C11H21N2O3P/c1-5-13(6-2)11(9-12)10-17(14,15-7-3)16-8-4/h10H,5-8H2,1-4H3/b11-10-.
What are the key properties of (Z)-3-diethoxyphosphoryl-2-(diethylamino)prop-2-enenitrile?
(Z)-3-diethoxyphosphoryl-2-(diethylamino)prop-2-enenitrile has a molecular weight of 260.27 g/mol, XLogP of 2.96, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-diethoxyphosphoryl-2-(diethylamino)prop-2-enenitrile is sourced from PubChem (CID 23419742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).