2-methyl-3H-pyrrole;5-methyl-2H-pyrrole

C10H14N2 — CID 157471323

IUPAC2-methyl-3H-pyrrole;5-methyl-2H-pyrrole
SMILESCC1=NC=CC1.CC1=NCC=C1
InChIInChI=1S/2C5H7N/c2*1-5-3-2-4-6-5/h2,4H,3H2,1H3;2-3H,4H2,1H3
InChIKeyBVBNNUUOSFHHLN-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.38
Rot. Bonds

About 2-methyl-3H-pyrrole;5-methyl-2H-pyrrole

2-methyl-3H-pyrrole;5-methyl-2H-pyrrole (PubChem CID 157471323) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-methyl-3H-pyrrole;5-methyl-2H-pyrrole.

Molecular Properties

Compound Name2-methyl-3H-pyrrole;5-methyl-2H-pyrrole
PubChem CID157471323
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-methyl-3H-pyrrole;5-methyl-2H-pyrrole
SMILESCC1=NC=CC1.CC1=NCC=C1
InChIInChI=1S/2C5H7N/c2*1-5-3-2-4-6-5/h2,4H,3H2,1H3;2-3H,4H2,1H3
InChIKeyBVBNNUUOSFHHLN-UHFFFAOYSA-N
XLogP2.38
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(Z)-2-fluoroprop-1-enyl]-3H-pyrrole
CID 170447003
5-ethyl-2H-pyrrole
CID 20725724
2H-1,5-benzodiazepine
CID 54213230
(5S)-5-methyl-1,5-dihydropyrrolizin-4-ium
CID 58995829
5-methyl-3aH-pyrrolo[3,2-b]pyridine
CID 59199740
Carbanide;iridium;2-prop-1-enyl-3,4-dihydropyridine
CID 59403546
2-[(Z)-but-1-enyl]-3H-pyrrole
CID 59879717
1-methyl-2-[(1-methyl-3H-pyrrol-1-ium-2-yl)methylidene]-3H-pyrrole
CID 59893301
(4Z)-2-methyl-N-[(Z)-prop-1-enyl]hexa-1,4-dien-3-imine
CID 88960570
2,5-diethyl-3aH-pyrrolo[3,2-b]pyridine
CID 89014932
(E)-4-ethenyliminohex-2-en-2-amine
CID 89277427
(Z)-N-ethenylhex-3-en-2-imine
CID 89652457

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3H-pyrrole;5-methyl-2H-pyrrole?
The IUPAC name of 2-methyl-3H-pyrrole;5-methyl-2H-pyrrole (CID 157471323) is 2-methyl-3H-pyrrole;5-methyl-2H-pyrrole.
What is the SMILES notation for 2-methyl-3H-pyrrole;5-methyl-2H-pyrrole?
The canonical SMILES for 2-methyl-3H-pyrrole;5-methyl-2H-pyrrole is CC1=NC=CC1.CC1=NCC=C1.
What is the InChIKey of 2-methyl-3H-pyrrole;5-methyl-2H-pyrrole?
The InChIKey is BVBNNUUOSFHHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H7N/c2*1-5-3-2-4-6-5/h2,4H,3H2,1H3;2-3H,4H2,1H3.
What are the key properties of 2-methyl-3H-pyrrole;5-methyl-2H-pyrrole?
2-methyl-3H-pyrrole;5-methyl-2H-pyrrole has a molecular weight of 162.24 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3H-pyrrole;5-methyl-2H-pyrrole is sourced from PubChem (CID 157471323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).