ethane;5-methyl-2H-pyrrole

C9H19N — CID 123438994

IUPACethane;5-methyl-2H-pyrrole
SMILESCC.CC.CC1=NCC=C1
InChIInChI=1S/C5H7N.2C2H6/c1-5-3-2-4-6-5;2*1-2/h2-3H,4H2,1H3;2*1-2H3
InChIKeyBAAAABZVETVULS-UHFFFAOYSA-N
MW141.26 g/mol
LogP3.07
Rot. Bonds

About ethane;5-methyl-2H-pyrrole

ethane;5-methyl-2H-pyrrole (PubChem CID 123438994) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is ethane;5-methyl-2H-pyrrole.

Molecular Properties

Compound Nameethane;5-methyl-2H-pyrrole
PubChem CID123438994
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Nameethane;5-methyl-2H-pyrrole
SMILESCC.CC.CC1=NCC=C1
InChIInChI=1S/C5H7N.2C2H6/c1-5-3-2-4-6-5;2*1-2/h2-3H,4H2,1H3;2*1-2H3
InChIKeyBAAAABZVETVULS-UHFFFAOYSA-N
XLogP3.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 21672374
(2R)-2,7-dimethyl-2H-azepine
CID 134989460
5-methyl-2H-pyrrole
CID 12554804
2,5-Dimethyl-2H-pyrrole
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CID 11138473
CID 11138473
4-methyl-N-propan-2-ylpent-3-en-2-imine
CID 12378513
N-methylpent-3-en-2-imine
CID 15325554
3,6-Bis-sec-butylimino-cyclohexa-1,4-diene
CID 18172612
3,5-dimethyl-2H-pyrrole
CID 20653105
5-ethyl-2H-pyrrole
CID 20725724
1,2,5-trimethyl-2H-pyrrol-1-ium
CID 20749699
5-ethyl-1-methyl-2H-pyrrol-1-ium
CID 20749702

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2H-pyrrole?
The IUPAC name of ethane;5-methyl-2H-pyrrole (CID 123438994) is ethane;5-methyl-2H-pyrrole.
What is the SMILES notation for ethane;5-methyl-2H-pyrrole?
The canonical SMILES for ethane;5-methyl-2H-pyrrole is CC.CC.CC1=NCC=C1.
What is the InChIKey of ethane;5-methyl-2H-pyrrole?
The InChIKey is BAAAABZVETVULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N.2C2H6/c1-5-3-2-4-6-5;2*1-2/h2-3H,4H2,1H3;2*1-2H3.
What are the key properties of ethane;5-methyl-2H-pyrrole?
ethane;5-methyl-2H-pyrrole has a molecular weight of 141.26 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2H-pyrrole is sourced from PubChem (CID 123438994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).