3-(2-methoxyethylidene)cyclobutane-1-carbonitrile

C8H11NO — CID 23271398

IUPAC3-(2-methoxyethylidene)cyclobutane-1-carbonitrile
SMILESCOCC=C1CC(C#N)C1
InChIInChI=1S/C8H11NO/c1-10-3-2-7-4-8(5-7)6-9/h2,8H,3-5H2,1H3/b7-2-
InChIKeyCGNRVIDUJKWCOJ-UQCOIBPSSA-N
MW137.18 g/mol
LogP1.49
Rot. Bonds2

About 3-(2-methoxyethylidene)cyclobutane-1-carbonitrile

3-(2-methoxyethylidene)cyclobutane-1-carbonitrile (PubChem CID 23271398) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 3-(2-methoxyethylidene)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-(2-methoxyethylidene)cyclobutane-1-carbonitrile
PubChem CID23271398
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name3-(2-methoxyethylidene)cyclobutane-1-carbonitrile
SMILESCOCC=C1CC(C#N)C1
InChIInChI=1S/C8H11NO/c1-10-3-2-7-4-8(5-7)6-9/h2,8H,3-5H2,1H3/b7-2-
InChIKeyCGNRVIDUJKWCOJ-UQCOIBPSSA-N
XLogP1.49
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(3-cyanocyclobutylidene)acetate
CID 155321008
2-(3-methoxycyclobutylidene)ethanamine
CID 106824175
3-iminocyclobutane-1-carbonitrile
CID 22889456
methane;4-methoxybut-2-enenitrile
CID 158743313
4-(2-ethoxyprop-2-enylidene)cyclohexane-1-carbonitrile
CID 88947534
3-(bromomethyl)-3-methoxycyclobutane-1-carbonitrile
CID 12013493
4-(2-methoxyethenyl)cyclohexane-1-carbonitrile
CID 70406257
3-methoxyiminocyclododecane-1-carbonitrile
CID 118511445
3-methoxyiminocyclononane-1-carbonitrile
CID 140887446
methyl 2-[3-(cyanomethyl)cyclobutylidene]acetate
CID 155321153
4-methoxycyclohex-3-ene-1-carbonitrile
CID 53231492
3-methyl-3-triethylsilyloxycyclobutane-1-carbonitrile
CID 177439553

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylidene)cyclobutane-1-carbonitrile?
The IUPAC name of 3-(2-methoxyethylidene)cyclobutane-1-carbonitrile (CID 23271398) is 3-(2-methoxyethylidene)cyclobutane-1-carbonitrile.
What is the SMILES notation for 3-(2-methoxyethylidene)cyclobutane-1-carbonitrile?
The canonical SMILES for 3-(2-methoxyethylidene)cyclobutane-1-carbonitrile is COCC=C1CC(C#N)C1.
What is the InChIKey of 3-(2-methoxyethylidene)cyclobutane-1-carbonitrile?
The InChIKey is CGNRVIDUJKWCOJ-UQCOIBPSSA-N. The full InChI is InChI=1S/C8H11NO/c1-10-3-2-7-4-8(5-7)6-9/h2,8H,3-5H2,1H3/b7-2-.
What are the key properties of 3-(2-methoxyethylidene)cyclobutane-1-carbonitrile?
3-(2-methoxyethylidene)cyclobutane-1-carbonitrile has a molecular weight of 137.18 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylidene)cyclobutane-1-carbonitrile is sourced from PubChem (CID 23271398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).