ethane;5-ethyl-1H-pyrrole-2-carbonitrile

C9H14N2 — CID 143116393

IUPACethane;5-ethyl-1H-pyrrole-2-carbonitrile
SMILESCC.CCc1ccc(C#N)[nH]1
InChIInChI=1S/C7H8N2.C2H6/c1-2-6-3-4-7(5-8)9-6;1-2/h3-4,9H,2H2,1H3;1-2H3
InChIKeyHJOGUKSSXGWOFF-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.47
Rot. Bonds1

About ethane;5-ethyl-1H-pyrrole-2-carbonitrile

ethane;5-ethyl-1H-pyrrole-2-carbonitrile (PubChem CID 143116393) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is ethane;5-ethyl-1H-pyrrole-2-carbonitrile.

Molecular Properties

Compound Nameethane;5-ethyl-1H-pyrrole-2-carbonitrile
PubChem CID143116393
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Nameethane;5-ethyl-1H-pyrrole-2-carbonitrile
SMILESCC.CCc1ccc(C#N)[nH]1
InChIInChI=1S/C7H8N2.C2H6/c1-2-6-3-4-7(5-8)9-6;1-2/h3-4,9H,2H2,1H3;1-2H3
InChIKeyHJOGUKSSXGWOFF-UHFFFAOYSA-N
XLogP2.47
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 570605
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CID 522355
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CID 15314672
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CID 13067931
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CID 2763165
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CID 281648
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CID 5708106
CID 5708106

Frequently Asked Questions

What is the IUPAC name of ethane;5-ethyl-1H-pyrrole-2-carbonitrile?
The IUPAC name of ethane;5-ethyl-1H-pyrrole-2-carbonitrile (CID 143116393) is ethane;5-ethyl-1H-pyrrole-2-carbonitrile.
What is the SMILES notation for ethane;5-ethyl-1H-pyrrole-2-carbonitrile?
The canonical SMILES for ethane;5-ethyl-1H-pyrrole-2-carbonitrile is CC.CCc1ccc(C#N)[nH]1.
What is the InChIKey of ethane;5-ethyl-1H-pyrrole-2-carbonitrile?
The InChIKey is HJOGUKSSXGWOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2.C2H6/c1-2-6-3-4-7(5-8)9-6;1-2/h3-4,9H,2H2,1H3;1-2H3.
What are the key properties of ethane;5-ethyl-1H-pyrrole-2-carbonitrile?
ethane;5-ethyl-1H-pyrrole-2-carbonitrile has a molecular weight of 150.22 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-ethyl-1H-pyrrole-2-carbonitrile is sourced from PubChem (CID 143116393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).