1-[(Z)-2-isocyanoethenyl]-4-methoxybenzene

C10H9NO — CID 124652695

IUPAC1-[(Z)-2-isocyanoethenyl]-4-methoxybenzene
SMILES[C-]#[N+]/C=C\c1ccc(OC)cc1
InChIInChI=1S/C10H9NO/c1-11-8-7-9-3-5-10(12-2)6-4-9/h3-8H,2H3/b8-7-
InChIKeyUWVRVVKDGCTRCD-FPLPWBNLSA-N
MW159.19 g/mol
LogP2.59
Rot. Bonds2

About 1-[(Z)-2-isocyanoethenyl]-4-methoxybenzene

1-[(Z)-2-isocyanoethenyl]-4-methoxybenzene (PubChem CID 124652695) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 1-[(Z)-2-isocyanoethenyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(Z)-2-isocyanoethenyl]-4-methoxybenzene
PubChem CID124652695
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name1-[(Z)-2-isocyanoethenyl]-4-methoxybenzene
SMILES[C-]#[N+]/C=C\c1ccc(OC)cc1
InChIInChI=1S/C10H9NO/c1-11-8-7-9-3-5-10(12-2)6-4-9/h3-8H,2H3/b8-7-
InChIKeyUWVRVVKDGCTRCD-FPLPWBNLSA-N
XLogP2.59
TPSA13.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
1-methoxy-4-prop-1-enylbenzene
CID 67322568
1-[(Z)-2-bromoethenyl]-4-methoxybenzene
CID 6166616
CID 135078844
CID 135078844
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399
1-methoxy-4-(4-phenylbuta-1,3-dienyl)benzene
CID 4560156
1-(3,3-dimethylbut-1-enyl)-4-methoxybenzene
CID 58550641
1-[(E)-3,3-dimethylbut-1-enyl]-4-methoxybenzene
CID 10012750
1-[(Z)-2-bromo-2-isocyanoethenyl]-4-methoxybenzene
CID 134987237
1-[(1E,3E)-4-chlorobuta-1,3-dienyl]-4-methoxybenzene
CID 101396307
(E)-3-(4-methoxyphenyl)prop-2-ene-1,1-diol
CID 88979121

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-isocyanoethenyl]-4-methoxybenzene?
The IUPAC name of 1-[(Z)-2-isocyanoethenyl]-4-methoxybenzene (CID 124652695) is 1-[(Z)-2-isocyanoethenyl]-4-methoxybenzene.
What is the SMILES notation for 1-[(Z)-2-isocyanoethenyl]-4-methoxybenzene?
The canonical SMILES for 1-[(Z)-2-isocyanoethenyl]-4-methoxybenzene is [C-]#[N+]/C=C\c1ccc(OC)cc1.
What is the InChIKey of 1-[(Z)-2-isocyanoethenyl]-4-methoxybenzene?
The InChIKey is UWVRVVKDGCTRCD-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H9NO/c1-11-8-7-9-3-5-10(12-2)6-4-9/h3-8H,2H3/b8-7-.
What are the key properties of 1-[(Z)-2-isocyanoethenyl]-4-methoxybenzene?
1-[(Z)-2-isocyanoethenyl]-4-methoxybenzene has a molecular weight of 159.19 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-isocyanoethenyl]-4-methoxybenzene is sourced from PubChem (CID 124652695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).