(Z)-2-di(propan-2-yloxy)phosphoryl-3-(furan-2-yl)prop-2-enenitrile

C13H18NO4P — CID 50990821

IUPAC(Z)-2-di(propan-2-yloxy)phosphoryl-3-(furan-2-yl)prop-2-enenitrile
SMILESCC(C)OP(=O)(OC(C)C)/C(C#N)=C\c1ccco1
InChIInChI=1S/C13H18NO4P/c1-10(2)17-19(15,18-11(3)4)13(9-14)8-12-6-5-7-16-12/h5-8,10-11H,1-4H3/b13-8-
InChIKeyHDHNSCQFOVIPGX-JYRVWZFOSA-N
MW283.26 g/mol
LogP4.19
Rot. Bonds6

About (Z)-2-di(propan-2-yloxy)phosphoryl-3-(furan-2-yl)prop-2-enenitrile

(Z)-2-di(propan-2-yloxy)phosphoryl-3-(furan-2-yl)prop-2-enenitrile (PubChem CID 50990821) has the molecular formula C13H18NO4P and a molecular weight of 283.26 g/mol. Its IUPAC name is (Z)-2-di(propan-2-yloxy)phosphoryl-3-(furan-2-yl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-di(propan-2-yloxy)phosphoryl-3-(furan-2-yl)prop-2-enenitrile
PubChem CID50990821
Molecular FormulaC13H18NO4P
Molecular Weight283.26 g/mol
Exact Mass283.10
IUPAC Name(Z)-2-di(propan-2-yloxy)phosphoryl-3-(furan-2-yl)prop-2-enenitrile
SMILESCC(C)OP(=O)(OC(C)C)/C(C#N)=C\c1ccco1
InChIInChI=1S/C13H18NO4P/c1-10(2)17-19(15,18-11(3)4)13(9-14)8-12-6-5-7-16-12/h5-8,10-11H,1-4H3/b13-8-
InChIKeyHDHNSCQFOVIPGX-JYRVWZFOSA-N
XLogP4.19
TPSA72.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 54.19
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

methyl (E)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 5467940
(2E)-2-(furan-2-ylmethylidene)-3-methylbutanal
CID 82111259
ethyl (Z)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 5337852
N-[1-cyano-2-(furan-2-yl)ethenyl]acetamide
CID 85106709
(Z)-3-(furan-2-yl)-2-methoxyprop-2-enal
CID 102492012
(Z)-2-(ethoxymethyl)-3-(furan-2-yl)prop-2-enenitrile
CID 177443051
(Z)-2-cyano-3-(furan-2-yl)-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 40543296
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] (E)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 7560149
(E)-3-(furan-2-yl)-2-(4-nitrophenyl)prop-2-enenitrile
CID 695689
(E)-1-diethoxyphosphoryl-2-(furan-2-yl)-N,N-dimethylethenamine
CID 12515128
(E)-2-(4-fluorobenzoyl)-3-(furan-2-yl)prop-2-enenitrile
CID 9337840
1,1-dimethoxyethane;furan-2-carbaldehyde
CID 174905819

Frequently Asked Questions

What is the IUPAC name of (Z)-2-di(propan-2-yloxy)phosphoryl-3-(furan-2-yl)prop-2-enenitrile?
The IUPAC name of (Z)-2-di(propan-2-yloxy)phosphoryl-3-(furan-2-yl)prop-2-enenitrile (CID 50990821) is (Z)-2-di(propan-2-yloxy)phosphoryl-3-(furan-2-yl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-di(propan-2-yloxy)phosphoryl-3-(furan-2-yl)prop-2-enenitrile?
The canonical SMILES for (Z)-2-di(propan-2-yloxy)phosphoryl-3-(furan-2-yl)prop-2-enenitrile is CC(C)OP(=O)(OC(C)C)/C(C#N)=C\c1ccco1.
What is the InChIKey of (Z)-2-di(propan-2-yloxy)phosphoryl-3-(furan-2-yl)prop-2-enenitrile?
The InChIKey is HDHNSCQFOVIPGX-JYRVWZFOSA-N. The full InChI is InChI=1S/C13H18NO4P/c1-10(2)17-19(15,18-11(3)4)13(9-14)8-12-6-5-7-16-12/h5-8,10-11H,1-4H3/b13-8-.
What are the key properties of (Z)-2-di(propan-2-yloxy)phosphoryl-3-(furan-2-yl)prop-2-enenitrile?
(Z)-2-di(propan-2-yloxy)phosphoryl-3-(furan-2-yl)prop-2-enenitrile has a molecular weight of 283.26 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-di(propan-2-yloxy)phosphoryl-3-(furan-2-yl)prop-2-enenitrile is sourced from PubChem (CID 50990821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).