aminophosphanylformonitrile;1-[(Z,2Z)-2-ethylidenepent-3-enyl]-3-methoxybenzene

C15H21N2OP — CID 143526232

IUPACaminophosphanylformonitrile;1-[(Z,2Z)-2-ethylidenepent-3-enyl]-3-methoxybenzene
SMILESC/C=C\C(=C/C)Cc1cccc(OC)c1.N#CPN
InChIInChI=1S/C14H18O.CH3N2P/c1-4-7-12(5-2)10-13-8-6-9-14(11-13)15-3;2-1-4-3/h4-9,11H,10H2,1-3H3;4H,3H2/b7-4-,12-5+;
InChIKeyFTYFZCLXZAMDCZ-VACVELDKSA-N
MW276.32 g/mol
LogP3.78
Rot. Bonds4

About aminophosphanylformonitrile;1-[(Z,2Z)-2-ethylidenepent-3-enyl]-3-methoxybenzene

aminophosphanylformonitrile;1-[(Z,2Z)-2-ethylidenepent-3-enyl]-3-methoxybenzene (PubChem CID 143526232) has the molecular formula C15H21N2OP and a molecular weight of 276.32 g/mol. Its IUPAC name is aminophosphanylformonitrile;1-[(Z,2Z)-2-ethylidenepent-3-enyl]-3-methoxybenzene.

Molecular Properties

Compound Nameaminophosphanylformonitrile;1-[(Z,2Z)-2-ethylidenepent-3-enyl]-3-methoxybenzene
PubChem CID143526232
Molecular FormulaC15H21N2OP
Molecular Weight276.32 g/mol
Exact Mass276.14
IUPAC Nameaminophosphanylformonitrile;1-[(Z,2Z)-2-ethylidenepent-3-enyl]-3-methoxybenzene
SMILESC/C=C\C(=C/C)Cc1cccc(OC)c1.N#CPN
InChIInChI=1S/C14H18O.CH3N2P/c1-4-7-12(5-2)10-13-8-6-9-14(11-13)15-3;2-1-4-3/h4-9,11H,10H2,1-3H3;4H,3H2/b7-4-,12-5+;
InChIKeyFTYFZCLXZAMDCZ-VACVELDKSA-N
XLogP3.78
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z,2Z)-2-ethylidenepent-3-enyl]-3-methoxybenzene
CID 143526233
(3-methoxyphenyl)methyl but-2-enoate
CID 75850831
N'-hydroxy-2-(3-methoxyphenyl)ethanimidamide
CID 4601584
(Z)-2-(3-methoxyphenyl)but-2-enenitrile
CID 10035075
(3-methoxyphenyl)(113C)methanol
CID 11593446
N'-hydroxy-2-(3-methoxyphenyl)ethanimidamide;hydrochloride
CID 57368856
N-(2-cyanopropan-2-yl)-2-(3-methoxyphenyl)acetamide
CID 54904477
1-(3-methoxyphenyl)hex-4-yn-2-one
CID 62311381
5-(3-methoxyphenyl)-4-methylpent-3-en-1-amine
CID 79591009
methoxymethane;(3-methoxyphenyl)methanol;prop-1-ene
CID 91163567
N,N-bis(2-cyanoethyl)-2-(3-methoxyphenyl)acetamide
CID 51185583
2-[(3-methoxyphenyl)methoxy]prop-1-en-1-one
CID 134874113

Frequently Asked Questions

What is the IUPAC name of aminophosphanylformonitrile;1-[(Z,2Z)-2-ethylidenepent-3-enyl]-3-methoxybenzene?
The IUPAC name of aminophosphanylformonitrile;1-[(Z,2Z)-2-ethylidenepent-3-enyl]-3-methoxybenzene (CID 143526232) is aminophosphanylformonitrile;1-[(Z,2Z)-2-ethylidenepent-3-enyl]-3-methoxybenzene.
What is the SMILES notation for aminophosphanylformonitrile;1-[(Z,2Z)-2-ethylidenepent-3-enyl]-3-methoxybenzene?
The canonical SMILES for aminophosphanylformonitrile;1-[(Z,2Z)-2-ethylidenepent-3-enyl]-3-methoxybenzene is C/C=C\C(=C/C)Cc1cccc(OC)c1.N#CPN.
What is the InChIKey of aminophosphanylformonitrile;1-[(Z,2Z)-2-ethylidenepent-3-enyl]-3-methoxybenzene?
The InChIKey is FTYFZCLXZAMDCZ-VACVELDKSA-N. The full InChI is InChI=1S/C14H18O.CH3N2P/c1-4-7-12(5-2)10-13-8-6-9-14(11-13)15-3;2-1-4-3/h4-9,11H,10H2,1-3H3;4H,3H2/b7-4-,12-5+;.
What are the key properties of aminophosphanylformonitrile;1-[(Z,2Z)-2-ethylidenepent-3-enyl]-3-methoxybenzene?
aminophosphanylformonitrile;1-[(Z,2Z)-2-ethylidenepent-3-enyl]-3-methoxybenzene has a molecular weight of 276.32 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aminophosphanylformonitrile;1-[(Z,2Z)-2-ethylidenepent-3-enyl]-3-methoxybenzene is sourced from PubChem (CID 143526232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).