(1Z)-3-methylidene-2-(methylideneamino)-1-[(Z)-propylideneamino]penta-1,4-dien-1-ol

C10H14N2O — CID 142879413

IUPAC(1Z)-3-methylidene-2-(methylideneamino)-1-[(Z)-propylideneamino]penta-1,4-dien-1-ol
SMILESC=CC(=C)C(N=C)=C(O)/N=C\CC
InChIInChI=1S/C10H14N2O/c1-5-7-12-10(13)9(11-4)8(3)6-2/h6-7,13H,2-5H2,1H3/b10-9-,12-7-
InChIKeyZHGHMFFHNBNNJS-BGDKHNCESA-N
MW178.23 g/mol
LogP2.64
Rot. Bonds5

About (1Z)-3-methylidene-2-(methylideneamino)-1-[(Z)-propylideneamino]penta-1,4-dien-1-ol

(1Z)-3-methylidene-2-(methylideneamino)-1-[(Z)-propylideneamino]penta-1,4-dien-1-ol (PubChem CID 142879413) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is (1Z)-3-methylidene-2-(methylideneamino)-1-[(Z)-propylideneamino]penta-1,4-dien-1-ol.

Molecular Properties

Compound Name(1Z)-3-methylidene-2-(methylideneamino)-1-[(Z)-propylideneamino]penta-1,4-dien-1-ol
PubChem CID142879413
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name(1Z)-3-methylidene-2-(methylideneamino)-1-[(Z)-propylideneamino]penta-1,4-dien-1-ol
SMILESC=CC(=C)C(N=C)=C(O)/N=C\CC
InChIInChI=1S/C10H14N2O/c1-5-7-12-10(13)9(11-4)8(3)6-2/h6-7,13H,2-5H2,1H3/b10-9-,12-7-
InChIKeyZHGHMFFHNBNNJS-BGDKHNCESA-N
XLogP2.64
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.64
H-Bond Donors ≤ 51
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(1Z,3Z)-3-ethenyl-1-[(Z)-ethylideneamino]-2-(methylideneamino)penta-1,3-dien-1-ol
CID 143559789
N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-imine
CID 123498961
1,3-di(propylidene)guanidine
CID 174857851
2-methylbuta-1,3-diene;2-methylbut-1-ene
CID 160626231
2-(propylideneamino)prop-2-enenitrile
CID 90933430
N-[(3Z)-penta-1,3-dien-2-yl]propan-1-imine
CID 123701071
N-penta-1,3,4-trien-2-ylpropan-1-imine
CID 123516148
2-buta-1,3-dien-2-ylpent-2-enoic acid
CID 90763748
ethane;N-pent-1-en-2-ylmethanimine
CID 164877658
N,N-dimethyl-2-methylidenebut-3-enimidamide
CID 178095439
N-[(2E)-1,3-dibromopenta-2,4-dien-2-yl]methanimine;ethane
CID 163370351
propylidenethiourea
CID 57195256

Frequently Asked Questions

What is the IUPAC name of (1Z)-3-methylidene-2-(methylideneamino)-1-[(Z)-propylideneamino]penta-1,4-dien-1-ol?
The IUPAC name of (1Z)-3-methylidene-2-(methylideneamino)-1-[(Z)-propylideneamino]penta-1,4-dien-1-ol (CID 142879413) is (1Z)-3-methylidene-2-(methylideneamino)-1-[(Z)-propylideneamino]penta-1,4-dien-1-ol.
What is the SMILES notation for (1Z)-3-methylidene-2-(methylideneamino)-1-[(Z)-propylideneamino]penta-1,4-dien-1-ol?
The canonical SMILES for (1Z)-3-methylidene-2-(methylideneamino)-1-[(Z)-propylideneamino]penta-1,4-dien-1-ol is C=CC(=C)C(N=C)=C(O)/N=C\CC.
What is the InChIKey of (1Z)-3-methylidene-2-(methylideneamino)-1-[(Z)-propylideneamino]penta-1,4-dien-1-ol?
The InChIKey is ZHGHMFFHNBNNJS-BGDKHNCESA-N. The full InChI is InChI=1S/C10H14N2O/c1-5-7-12-10(13)9(11-4)8(3)6-2/h6-7,13H,2-5H2,1H3/b10-9-,12-7-.
What are the key properties of (1Z)-3-methylidene-2-(methylideneamino)-1-[(Z)-propylideneamino]penta-1,4-dien-1-ol?
(1Z)-3-methylidene-2-(methylideneamino)-1-[(Z)-propylideneamino]penta-1,4-dien-1-ol has a molecular weight of 178.23 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3-methylidene-2-(methylideneamino)-1-[(Z)-propylideneamino]penta-1,4-dien-1-ol is sourced from PubChem (CID 142879413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).