(Z)-2-(3-methoxyphenyl)but-2-enenitrile

C11H11NO — CID 10035075

IUPAC(Z)-2-(3-methoxyphenyl)but-2-enenitrile
SMILESC/C=C(\C#N)c1cccc(OC)c1
InChIInChI=1S/C11H11NO/c1-3-9(8-12)10-5-4-6-11(7-10)13-2/h3-7H,1-2H3/b9-3+
InChIKeyVASFRGDPEZOWBJ-YCRREMRBSA-N
MW173.21 g/mol
LogP2.62
Rot. Bonds2

About (Z)-2-(3-methoxyphenyl)but-2-enenitrile

(Z)-2-(3-methoxyphenyl)but-2-enenitrile (PubChem CID 10035075) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is (Z)-2-(3-methoxyphenyl)but-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(3-methoxyphenyl)but-2-enenitrile
PubChem CID10035075
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name(Z)-2-(3-methoxyphenyl)but-2-enenitrile
SMILESC/C=C(\C#N)c1cccc(OC)c1
InChIInChI=1S/C11H11NO/c1-3-9(8-12)10-5-4-6-11(7-10)13-2/h3-7H,1-2H3/b9-3+
InChIKeyVASFRGDPEZOWBJ-YCRREMRBSA-N
XLogP2.62
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2,3-bis(3-methoxyphenyl)prop-2-enenitrile
CID 10945343
(E)-2-(3-fluorophenyl)but-2-enenitrile
CID 131998621
(Z)-2-(2,5-dimethoxyphenyl)but-2-enenitrile
CID 82076703
1-(3-methoxyphenyl)ethylideneazanium
CID 135086476
1-methoxy-3-pent-2-en-3-ylbenzene
CID 54347548
(E)-2-[3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enenitrile
CID 101032566
(Z)-2-[4-[(Z)-1-cyano-2-(2,4-dimethoxyphenyl)ethenyl]phenyl]-3-(2,4-dimethoxyphenyl)prop-2-enenitrile
CID 6005345
1-(3-methoxyphenyl)-N-[1-(3-methoxyphenyl)ethylideneamino]ethanimine
CID 791623
1-(1-iodoethenyl)-3-methoxybenzene
CID 102579416
methyl 3-cyano-3-(3-ethoxyphenyl)prop-2-enoate
CID 139578176
1-methoxy-3-[5-(3-methoxyphenyl)hexa-1,5-dien-2-yl]benzene
CID 122403772
1-methoxy-3-(1-phenylethenyl)benzene
CID 15680509

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(3-methoxyphenyl)but-2-enenitrile?
The IUPAC name of (Z)-2-(3-methoxyphenyl)but-2-enenitrile (CID 10035075) is (Z)-2-(3-methoxyphenyl)but-2-enenitrile.
What is the SMILES notation for (Z)-2-(3-methoxyphenyl)but-2-enenitrile?
The canonical SMILES for (Z)-2-(3-methoxyphenyl)but-2-enenitrile is C/C=C(\C#N)c1cccc(OC)c1.
What is the InChIKey of (Z)-2-(3-methoxyphenyl)but-2-enenitrile?
The InChIKey is VASFRGDPEZOWBJ-YCRREMRBSA-N. The full InChI is InChI=1S/C11H11NO/c1-3-9(8-12)10-5-4-6-11(7-10)13-2/h3-7H,1-2H3/b9-3+.
What are the key properties of (Z)-2-(3-methoxyphenyl)but-2-enenitrile?
(Z)-2-(3-methoxyphenyl)but-2-enenitrile has a molecular weight of 173.21 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3-methoxyphenyl)but-2-enenitrile is sourced from PubChem (CID 10035075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).