2-phenylmethoxyprop-2-enenitrile

C10H9NO — CID 23172777

IUPAC2-phenylmethoxyprop-2-enenitrile
SMILESC=C(C#N)OCc1ccccc1
InChIInChI=1S/C10H9NO/c1-9(7-11)12-8-10-5-3-2-4-6-10/h2-6H,1,8H2
InChIKeyNYVPRWODADOGAO-UHFFFAOYSA-N
MW159.19 g/mol
LogP2.24
Rot. Bonds3

About 2-phenylmethoxyprop-2-enenitrile

2-phenylmethoxyprop-2-enenitrile (PubChem CID 23172777) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-phenylmethoxyprop-2-enenitrile.

Molecular Properties

Compound Name2-phenylmethoxyprop-2-enenitrile
PubChem CID23172777
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name2-phenylmethoxyprop-2-enenitrile
SMILESC=C(C#N)OCc1ccccc1
InChIInChI=1S/C10H9NO/c1-9(7-11)12-8-10-5-3-2-4-6-10/h2-6H,1,8H2
InChIKeyNYVPRWODADOGAO-UHFFFAOYSA-N
XLogP2.24
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium 1-phenylmethoxyethenolate
CID 23696401
1-phenylethenoxymethylbenzene;tetrabromomethane
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2-phenylmethoxyprop-2-enoic acid
CID 14954752
benzyl 2-cyanoacetate
CID 560818
benzyl 2-cyano-3-methylbut-2-enoate
CID 58322046
dibenzyl (1S,2S,3S,4S)-3,4-bis(cyanomethyl)cyclobutane-1,2-dicarboxylate
CID 18664013
3-phenylmethoxybut-2-en-2-yloxymethylbenzene
CID 86006666
benzyl 3-cyanopropanoate
CID 14568318
3-O-benzyl 1-O-ethyl 2-methylidenepropanedioate
CID 118947180
CID 118384306
CID 118384306
benzyl (E)-3-cyanoprop-2-enoate
CID 15285348
benzyl 3-amino-3-cyanopropanoate
CID 77260012

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxyprop-2-enenitrile?
The IUPAC name of 2-phenylmethoxyprop-2-enenitrile (CID 23172777) is 2-phenylmethoxyprop-2-enenitrile.
What is the SMILES notation for 2-phenylmethoxyprop-2-enenitrile?
The canonical SMILES for 2-phenylmethoxyprop-2-enenitrile is C=C(C#N)OCc1ccccc1.
What is the InChIKey of 2-phenylmethoxyprop-2-enenitrile?
The InChIKey is NYVPRWODADOGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-9(7-11)12-8-10-5-3-2-4-6-10/h2-6H,1,8H2.
What are the key properties of 2-phenylmethoxyprop-2-enenitrile?
2-phenylmethoxyprop-2-enenitrile has a molecular weight of 159.19 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxyprop-2-enenitrile is sourced from PubChem (CID 23172777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).