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

C9H15N — CID 157191118

IUPAC1-methyl-2-methylidene-5-propan-2-yl-3H-pyrrole
SMILESC=C1CC=C(C(C)C)N1C
InChIInChI=1S/C9H15N/c1-7(2)9-6-5-8(3)10(9)4/h6-7H,3,5H2,1-2,4H3
InChIKeyKTMUJGMULLCEFM-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.38
Rot. Bonds1

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

1-methyl-2-methylidene-5-propan-2-yl-3H-pyrrole (PubChem CID 157191118) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 1-methyl-2-methylidene-5-propan-2-yl-3H-pyrrole.

Molecular Properties

Compound Name1-methyl-2-methylidene-5-propan-2-yl-3H-pyrrole
PubChem CID157191118
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name1-methyl-2-methylidene-5-propan-2-yl-3H-pyrrole
SMILESC=C1CC=C(C(C)C)N1C
InChIInChI=1S/C9H15N/c1-7(2)9-6-5-8(3)10(9)4/h6-7H,3,5H2,1-2,4H3
InChIKeyKTMUJGMULLCEFM-UHFFFAOYSA-N
XLogP2.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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1-methyl-5-methylidene-3-propan-2-ylpyrrol-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-methylidene-5-propan-2-yl-3H-pyrrole?
The IUPAC name of 1-methyl-2-methylidene-5-propan-2-yl-3H-pyrrole (CID 157191118) is 1-methyl-2-methylidene-5-propan-2-yl-3H-pyrrole.
What is the SMILES notation for 1-methyl-2-methylidene-5-propan-2-yl-3H-pyrrole?
The canonical SMILES for 1-methyl-2-methylidene-5-propan-2-yl-3H-pyrrole is C=C1CC=C(C(C)C)N1C.
What is the InChIKey of 1-methyl-2-methylidene-5-propan-2-yl-3H-pyrrole?
The InChIKey is KTMUJGMULLCEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-7(2)9-6-5-8(3)10(9)4/h6-7H,3,5H2,1-2,4H3.
What are the key properties of 1-methyl-2-methylidene-5-propan-2-yl-3H-pyrrole?
1-methyl-2-methylidene-5-propan-2-yl-3H-pyrrole has a molecular weight of 137.23 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-methylidene-5-propan-2-yl-3H-pyrrole is sourced from PubChem (CID 157191118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).