2-methyl-5-propan-2-yl-1H-pyrrole-3-carbonitrile

C9H12N2 — CID 15883174

IUPAC2-methyl-5-propan-2-yl-1H-pyrrole-3-carbonitrile
SMILESCc1[nH]c(C(C)C)cc1C#N
InChIInChI=1S/C9H12N2/c1-6(2)9-4-8(5-10)7(3)11-9/h4,6,11H,1-3H3
InChIKeyXECVYSGFMFHCPS-UHFFFAOYSA-N
MW148.21 g/mol
LogP2.32
Rot. Bonds1

About 2-methyl-5-propan-2-yl-1H-pyrrole-3-carbonitrile

2-methyl-5-propan-2-yl-1H-pyrrole-3-carbonitrile (PubChem CID 15883174) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2-methyl-5-propan-2-yl-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-5-propan-2-yl-1H-pyrrole-3-carbonitrile
PubChem CID15883174
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2-methyl-5-propan-2-yl-1H-pyrrole-3-carbonitrile
SMILESCc1[nH]c(C(C)C)cc1C#N
InChIInChI=1S/C9H12N2/c1-6(2)9-4-8(5-10)7(3)11-9/h4,6,11H,1-3H3
InChIKeyXECVYSGFMFHCPS-UHFFFAOYSA-N
XLogP2.32
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-yl-1H-pyrrole-3-carbonitrile?
The IUPAC name of 2-methyl-5-propan-2-yl-1H-pyrrole-3-carbonitrile (CID 15883174) is 2-methyl-5-propan-2-yl-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 2-methyl-5-propan-2-yl-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 2-methyl-5-propan-2-yl-1H-pyrrole-3-carbonitrile is Cc1[nH]c(C(C)C)cc1C#N.
What is the InChIKey of 2-methyl-5-propan-2-yl-1H-pyrrole-3-carbonitrile?
The InChIKey is XECVYSGFMFHCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-6(2)9-4-8(5-10)7(3)11-9/h4,6,11H,1-3H3.
What are the key properties of 2-methyl-5-propan-2-yl-1H-pyrrole-3-carbonitrile?
2-methyl-5-propan-2-yl-1H-pyrrole-3-carbonitrile has a molecular weight of 148.21 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-yl-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 15883174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).