1-methyl-2-propyl-2,5-dihydropyrrole

C8H15N — CID 153356137

IUPAC1-methyl-2-propyl-2,5-dihydropyrrole
SMILESCCCC1C=CCN1C
InChIInChI=1S/C8H15N/c1-3-5-8-6-4-7-9(8)2/h4,6,8H,3,5,7H2,1-2H3
InChIKeyHGXMPVDMUPERHT-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.66
Rot. Bonds2

About 1-methyl-2-propyl-2,5-dihydropyrrole

1-methyl-2-propyl-2,5-dihydropyrrole (PubChem CID 153356137) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 1-methyl-2-propyl-2,5-dihydropyrrole.

Molecular Properties

Compound Name1-methyl-2-propyl-2,5-dihydropyrrole
PubChem CID153356137
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name1-methyl-2-propyl-2,5-dihydropyrrole
SMILESCCCC1C=CCN1C
InChIInChI=1S/C8H15N/c1-3-5-8-6-4-7-9(8)2/h4,6,8H,3,5,7H2,1-2H3
InChIKeyHGXMPVDMUPERHT-UHFFFAOYSA-N
XLogP1.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-butyl-1-methyl-2,5-dihydropyrrole
CID 142492351
2-(1-methyl-3,6-dihydro-2H-pyridin-6-yl)ethanol
CID 135182515
1-methyl-2-propyl-2H-pyrrol-5-one
CID 171490709
(2S)-2-tert-butyl-1-methyl-2,5-dihydropyrrole
CID 89477402
1-ethyl-6-methyl-3-[(2R)-2-propyl-2,5-dihydropyrrole-1-carbonyl]pyridin-2-one
CID 126441341
2-[[5-[[(2R)-2-propyl-2,5-dihydropyrrol-1-yl]methyl]pyrimidin-2-yl]amino]acetic acid
CID 125438450
(E)-3-[2-(dimethylamino)pyrimidin-5-yl]-1-(2-propyl-2,5-dihydropyrrol-1-yl)prop-2-en-1-one
CID 131927601
3-[2-(dimethylamino)pyrimidin-5-yl]-1-(2-propyl-2,5-dihydropyrrol-1-yl)prop-2-en-1-one
CID 171139580
[5-(difluoromethyl)-1H-pyrazol-3-yl]-[(2R)-2-propyl-2,5-dihydropyrrol-1-yl]methanone
CID 126451385
N-(6-methylpyridazin-3-yl)-4-[(2-propyl-2,5-dihydropyrrol-1-yl)methyl]benzamide
CID 50960208
4-[(6-propyl-3,6-dihydro-2H-pyridin-1-yl)methyl]phenol
CID 22393845
2-N,2-N,3-N,3-N,1-pentamethyl-3,6-dihydro-2H-pyridine-2,3-diamine
CID 18730083

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propyl-2,5-dihydropyrrole?
The IUPAC name of 1-methyl-2-propyl-2,5-dihydropyrrole (CID 153356137) is 1-methyl-2-propyl-2,5-dihydropyrrole.
What is the SMILES notation for 1-methyl-2-propyl-2,5-dihydropyrrole?
The canonical SMILES for 1-methyl-2-propyl-2,5-dihydropyrrole is CCCC1C=CCN1C.
What is the InChIKey of 1-methyl-2-propyl-2,5-dihydropyrrole?
The InChIKey is HGXMPVDMUPERHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-3-5-8-6-4-7-9(8)2/h4,6,8H,3,5,7H2,1-2H3.
What are the key properties of 1-methyl-2-propyl-2,5-dihydropyrrole?
1-methyl-2-propyl-2,5-dihydropyrrole has a molecular weight of 125.21 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propyl-2,5-dihydropyrrole is sourced from PubChem (CID 153356137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).