(3Z,5E)-5-[hydroxy(methyl)phosphinimyl]oxy-2-methylidenehepta-3,5-dien-1-imine

C9H15N2O2P — CID 143193801

IUPAC(3Z,5E)-5-[hydroxy(methyl)phosphinimyl]oxy-2-methylidenehepta-3,5-dien-1-imine
SMILES[H]N=P(C)(O)OC(/C=C\C(=C)/C=N/[H])=C/C
InChIInChI=1S/C9H15N2O2P/c1-4-9(13-14(3,11)12)6-5-8(2)7-10/h4-7,10H,2H2,1,3H3,(H2,11,12)/b6-5-,9-4+,10-7+
InChIKeyPDMCANWDIRBDDP-KQIIPHGESA-N
MW214.21 g/mol
LogP2.90
Rot. Bonds5

About (3Z,5E)-5-[hydroxy(methyl)phosphinimyl]oxy-2-methylidenehepta-3,5-dien-1-imine

(3Z,5E)-5-[hydroxy(methyl)phosphinimyl]oxy-2-methylidenehepta-3,5-dien-1-imine (PubChem CID 143193801) has the molecular formula C9H15N2O2P and a molecular weight of 214.21 g/mol. Its IUPAC name is (3Z,5E)-5-[hydroxy(methyl)phosphinimyl]oxy-2-methylidenehepta-3,5-dien-1-imine.

Molecular Properties

Compound Name(3Z,5E)-5-[hydroxy(methyl)phosphinimyl]oxy-2-methylidenehepta-3,5-dien-1-imine
PubChem CID143193801
Molecular FormulaC9H15N2O2P
Molecular Weight214.21 g/mol
Exact Mass214.09
IUPAC Name(3Z,5E)-5-[hydroxy(methyl)phosphinimyl]oxy-2-methylidenehepta-3,5-dien-1-imine
SMILES[H]N=P(C)(O)OC(/C=C\C(=C)/C=N/[H])=C/C
InChIInChI=1S/C9H15N2O2P/c1-4-9(13-14(3,11)12)6-5-8(2)7-10/h4-7,10H,2H2,1,3H3,(H2,11,12)/b6-5-,9-4+,10-7+
InChIKeyPDMCANWDIRBDDP-KQIIPHGESA-N
XLogP2.90
TPSA77.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z)-2-methylidenehexa-3,5-dien-1-imine
CID 145448043
(4Z,6E)-6-chloro-2,3-dimethylideneocta-4,6-dien-1-imine
CID 177317779
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2-iminoacetamide
CID 177149114
(2E,3Z)-2-ethylidenehexa-3,5-dien-1-imine
CID 143548384
(E)-2-prop-1-en-2-ylbut-2-en-1-imine
CID 90933098
methanimine;2-methylprop-2-en-1-imine
CID 145055297
2-ethylidene-3-methylpent-3-en-1-imine
CID 123743137
(E)-3-methanimidoylpent-3-ene-2,2-diol
CID 170592587
(2Z)-2,3-di(ethylidene)hex-4-en-1-imine
CID 123621757
(2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dien-1-imine
CID 134286835
2-fluoro-5-methoxyhepta-1,3,5-triene
CID 123941397
2,3-dimethylbutane-2,3-diol;(2Z)-2,4-dimethylpenta-2,4-dien-1-imine
CID 142397669

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-[hydroxy(methyl)phosphinimyl]oxy-2-methylidenehepta-3,5-dien-1-imine?
The IUPAC name of (3Z,5E)-5-[hydroxy(methyl)phosphinimyl]oxy-2-methylidenehepta-3,5-dien-1-imine (CID 143193801) is (3Z,5E)-5-[hydroxy(methyl)phosphinimyl]oxy-2-methylidenehepta-3,5-dien-1-imine.
What is the SMILES notation for (3Z,5E)-5-[hydroxy(methyl)phosphinimyl]oxy-2-methylidenehepta-3,5-dien-1-imine?
The canonical SMILES for (3Z,5E)-5-[hydroxy(methyl)phosphinimyl]oxy-2-methylidenehepta-3,5-dien-1-imine is [H]N=P(C)(O)OC(/C=C\C(=C)/C=N/[H])=C/C.
What is the InChIKey of (3Z,5E)-5-[hydroxy(methyl)phosphinimyl]oxy-2-methylidenehepta-3,5-dien-1-imine?
The InChIKey is PDMCANWDIRBDDP-KQIIPHGESA-N. The full InChI is InChI=1S/C9H15N2O2P/c1-4-9(13-14(3,11)12)6-5-8(2)7-10/h4-7,10H,2H2,1,3H3,(H2,11,12)/b6-5-,9-4+,10-7+.
What are the key properties of (3Z,5E)-5-[hydroxy(methyl)phosphinimyl]oxy-2-methylidenehepta-3,5-dien-1-imine?
(3Z,5E)-5-[hydroxy(methyl)phosphinimyl]oxy-2-methylidenehepta-3,5-dien-1-imine has a molecular weight of 214.21 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-[hydroxy(methyl)phosphinimyl]oxy-2-methylidenehepta-3,5-dien-1-imine is sourced from PubChem (CID 143193801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).