2-methylidene-5-propylpyrrole-3-carbonitrile

C9H10N2 — CID 135248170

IUPAC2-methylidene-5-propylpyrrole-3-carbonitrile
SMILESC=C1N=C(CCC)C=C1C#N
InChIInChI=1S/C9H10N2/c1-3-4-9-5-8(6-10)7(2)11-9/h5H,2-4H2,1H3
InChIKeyLPMRVHJMYRWBRG-UHFFFAOYSA-N
MW146.19 g/mol
LogP2.20
Rot. Bonds2

About 2-methylidene-5-propylpyrrole-3-carbonitrile

2-methylidene-5-propylpyrrole-3-carbonitrile (PubChem CID 135248170) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-methylidene-5-propylpyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-methylidene-5-propylpyrrole-3-carbonitrile
PubChem CID135248170
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name2-methylidene-5-propylpyrrole-3-carbonitrile
SMILESC=C1N=C(CCC)C=C1C#N
InChIInChI=1S/C9H10N2/c1-3-4-9-5-8(6-10)7(2)11-9/h5H,2-4H2,1H3
InChIKeyLPMRVHJMYRWBRG-UHFFFAOYSA-N
XLogP2.20
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-5-propylpyrrole-3-carbonitrile?
The IUPAC name of 2-methylidene-5-propylpyrrole-3-carbonitrile (CID 135248170) is 2-methylidene-5-propylpyrrole-3-carbonitrile.
What is the SMILES notation for 2-methylidene-5-propylpyrrole-3-carbonitrile?
The canonical SMILES for 2-methylidene-5-propylpyrrole-3-carbonitrile is C=C1N=C(CCC)C=C1C#N.
What is the InChIKey of 2-methylidene-5-propylpyrrole-3-carbonitrile?
The InChIKey is LPMRVHJMYRWBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-3-4-9-5-8(6-10)7(2)11-9/h5H,2-4H2,1H3.
What are the key properties of 2-methylidene-5-propylpyrrole-3-carbonitrile?
2-methylidene-5-propylpyrrole-3-carbonitrile has a molecular weight of 146.19 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-5-propylpyrrole-3-carbonitrile is sourced from PubChem (CID 135248170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).