(Z)-2-(methoxymethyl)hept-2-enenitrile

C9H15NO — CID 14221071

IUPAC(Z)-2-(methoxymethyl)hept-2-enenitrile
SMILESCCCC/C=C(/C#N)COC
InChIInChI=1S/C9H15NO/c1-3-4-5-6-9(7-10)8-11-2/h6H,3-5,8H2,1-2H3/b9-6-
InChIKeyHBXWMLHISQPREA-TWGQIWQCSA-N
MW153.22 g/mol
LogP2.27
Rot. Bonds5

About (Z)-2-(methoxymethyl)hept-2-enenitrile

(Z)-2-(methoxymethyl)hept-2-enenitrile (PubChem CID 14221071) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (Z)-2-(methoxymethyl)hept-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(methoxymethyl)hept-2-enenitrile
PubChem CID14221071
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(Z)-2-(methoxymethyl)hept-2-enenitrile
SMILESCCCC/C=C(/C#N)COC
InChIInChI=1S/C9H15NO/c1-3-4-5-6-9(7-10)8-11-2/h6H,3-5,8H2,1-2H3/b9-6-
InChIKeyHBXWMLHISQPREA-TWGQIWQCSA-N
XLogP2.27
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxybutylidene)propanedinitrile
CID 87857821
(Z)-2-fluoronon-2-enenitrile
CID 11400896
(Z)-2-trimethylsilylnon-2-enenitrile
CID 12848321
(Z)-2-methoxyhept-2-ene
CID 21160203
2-methylicos-2-enenitrile
CID 175504471
(Z)-1-methoxynon-4-ene
CID 59123720
(Z)-4-(methoxymethyl)undec-4-en-1-amine
CID 103392101
(E)-4-methoxydec-4-ene
CID 134864544
3-methoxypropyl 2-cyanohex-2-eneperoxoate
CID 158611774
methyl (E)-2-methylhept-2-enoate
CID 13122847
(E)-2-methoxyhept-2-enoic acid
CID 87190436
2-prop-2-enylidenehexanenitrile
CID 88965787

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(methoxymethyl)hept-2-enenitrile?
The IUPAC name of (Z)-2-(methoxymethyl)hept-2-enenitrile (CID 14221071) is (Z)-2-(methoxymethyl)hept-2-enenitrile.
What is the SMILES notation for (Z)-2-(methoxymethyl)hept-2-enenitrile?
The canonical SMILES for (Z)-2-(methoxymethyl)hept-2-enenitrile is CCCC/C=C(/C#N)COC.
What is the InChIKey of (Z)-2-(methoxymethyl)hept-2-enenitrile?
The InChIKey is HBXWMLHISQPREA-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-4-5-6-9(7-10)8-11-2/h6H,3-5,8H2,1-2H3/b9-6-.
What are the key properties of (Z)-2-(methoxymethyl)hept-2-enenitrile?
(Z)-2-(methoxymethyl)hept-2-enenitrile has a molecular weight of 153.22 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(methoxymethyl)hept-2-enenitrile is sourced from PubChem (CID 14221071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).