formonitrile;1-methyl-3-methylidenecyclobutane

C7H11N — CID 160812987

IUPACformonitrile;1-methyl-3-methylidenecyclobutane
SMILESC#N.C=C1CC(C)C1
InChIInChI=1S/C6H10.CHN/c1-5-3-6(2)4-5;1-2/h6H,1,3-4H2,2H3;1H
InChIKeySENSBDFFJMMBRW-UHFFFAOYSA-N
MW109.17 g/mol
LogP2.11
Rot. Bonds

About formonitrile;1-methyl-3-methylidenecyclobutane

formonitrile;1-methyl-3-methylidenecyclobutane (PubChem CID 160812987) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is formonitrile;1-methyl-3-methylidenecyclobutane.

Molecular Properties

Compound Nameformonitrile;1-methyl-3-methylidenecyclobutane
PubChem CID160812987
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Nameformonitrile;1-methyl-3-methylidenecyclobutane
SMILESC#N.C=C1CC(C)C1
InChIInChI=1S/C6H10.CHN/c1-5-3-6(2)4-5;1-2/h6H,1,3-4H2,2H3;1H
InChIKeySENSBDFFJMMBRW-UHFFFAOYSA-N
XLogP2.11
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formonitrile;1-methyl-3-methylidenecyclobutane?
The IUPAC name of formonitrile;1-methyl-3-methylidenecyclobutane (CID 160812987) is formonitrile;1-methyl-3-methylidenecyclobutane.
What is the SMILES notation for formonitrile;1-methyl-3-methylidenecyclobutane?
The canonical SMILES for formonitrile;1-methyl-3-methylidenecyclobutane is C#N.C=C1CC(C)C1.
What is the InChIKey of formonitrile;1-methyl-3-methylidenecyclobutane?
The InChIKey is SENSBDFFJMMBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.CHN/c1-5-3-6(2)4-5;1-2/h6H,1,3-4H2,2H3;1H.
What are the key properties of formonitrile;1-methyl-3-methylidenecyclobutane?
formonitrile;1-methyl-3-methylidenecyclobutane has a molecular weight of 109.17 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formonitrile;1-methyl-3-methylidenecyclobutane is sourced from PubChem (CID 160812987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).