1-methyl-2,3-dihydropyrrole

C5H9N — CID 557463

IUPAC1-methyl-2,3-dihydropyrrole
SMILESCN1C=CCC1
InChIInChI=1S/C5H9N/c1-6-4-2-3-5-6/h2,4H,3,5H2,1H3
InChIKeyUVAJCDOUVGWEFK-UHFFFAOYSA-N
MW83.13 g/mol
LogP0.84
Rot. Bonds

About 1-methyl-2,3-dihydropyrrole

1-methyl-2,3-dihydropyrrole (PubChem CID 557463) has the molecular formula C5H9N and a molecular weight of 83.13 g/mol. Its IUPAC name is 1-methyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-methyl-2,3-dihydropyrrole
PubChem CID557463
Molecular FormulaC5H9N
Molecular Weight83.13 g/mol
Exact Mass83.07
IUPAC Name1-methyl-2,3-dihydropyrrole
SMILESCN1C=CCC1
InChIInChI=1S/C5H9N/c1-6-4-2-3-5-6/h2,4H,3,5H2,1H3
InChIKeyUVAJCDOUVGWEFK-UHFFFAOYSA-N
XLogP0.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.13
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Pyrrolidine, 1-(1-butenyl)-
CID 5357122
1,1-Dimethylamino-1-butene
CID 5365214
Pyridine, 1,4-dihydro-1-methyl-
CID 141818
Pyridine, 1,2,3,4-tetrahydro-1-methyl-
CID 10176095
N,N-dimethyl(3-butenyl)amine
CID 546902
CH3CH=Chn(CH3)2
CID 5463365
1-But-1-enylpyrrolidine
CID 139649
Dimethylaminopropylene
CID 521982
1-Buten-1-amine, N,N-dipropyl-
CID 575133
1-ethyl-4H-pyridine
CID 12220925
N-methyldipropenylamine
CID 12475945
dimethyl-[(E)-3-methyl-but-1-enyl]-amine
CID 13611575

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3-dihydropyrrole?
The IUPAC name of 1-methyl-2,3-dihydropyrrole (CID 557463) is 1-methyl-2,3-dihydropyrrole.
What is the SMILES notation for 1-methyl-2,3-dihydropyrrole?
The canonical SMILES for 1-methyl-2,3-dihydropyrrole is CN1C=CCC1.
What is the InChIKey of 1-methyl-2,3-dihydropyrrole?
The InChIKey is UVAJCDOUVGWEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N/c1-6-4-2-3-5-6/h2,4H,3,5H2,1H3.
What are the key properties of 1-methyl-2,3-dihydropyrrole?
1-methyl-2,3-dihydropyrrole has a molecular weight of 83.13 g/mol, XLogP of 0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-dihydropyrrole is sourced from PubChem (CID 557463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).