4,5-dimethyl-1-propan-2-yl-2,3-dihydropyrrole

C9H17N — CID 126707368

IUPAC4,5-dimethyl-1-propan-2-yl-2,3-dihydropyrrole
SMILESCC1=C(C)N(C(C)C)CC1
InChIInChI=1S/C9H17N/c1-7(2)10-6-5-8(3)9(10)4/h7H,5-6H2,1-4H3
InChIKeyJXZSINGWLKITSV-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.39
Rot. Bonds1

About 4,5-dimethyl-1-propan-2-yl-2,3-dihydropyrrole

4,5-dimethyl-1-propan-2-yl-2,3-dihydropyrrole (PubChem CID 126707368) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 4,5-dimethyl-1-propan-2-yl-2,3-dihydropyrrole.

Molecular Properties

Compound Name4,5-dimethyl-1-propan-2-yl-2,3-dihydropyrrole
PubChem CID126707368
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name4,5-dimethyl-1-propan-2-yl-2,3-dihydropyrrole
SMILESCC1=C(C)N(C(C)C)CC1
InChIInChI=1S/C9H17N/c1-7(2)10-6-5-8(3)9(10)4/h7H,5-6H2,1-4H3
InChIKeyJXZSINGWLKITSV-UHFFFAOYSA-N
XLogP2.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-Isopropyl-2-methylprop-1-en-1-yl)pyrrolidine
CID 637942
(E)-1-fluoro-N-(fluoromethyl)-2,4-dimethyl-N-propan-2-ylpent-2-en-3-amine
CID 174023168
1-(2,4,4-Trimethylpent-2-en-3-yl)pyrrolidine
CID 134863705
1,1-Dimethyl-5-propyl-4-(trifluoromethyl)-2,3-dihydropyrrol-1-ium
CID 102236800
1,4,5-Trimethyl-2,3-dihydropyrrole
CID 18737135
1,4-ditert-butyl-2,3-dimethyl-2H-azete
CID 21133051
1,2,3,3,4,5-hexamethyl-2H-pyrrole
CID 21535268
1,4,5,6-tetramethyl-3,6-dihydro-2H-pyridine
CID 21720613
(E)-N,3,4-trimethyl-N-propan-2-ylpent-2-en-2-amine
CID 22086825
1,3,4,5-Tetramethyl-2,3-dihydropyrrole
CID 53836913
1-(1,4-dimethyl-2,5-dihydropyrrol-3-yl)-N,N-dimethylethanamine
CID 54029903
1,2,3,4,5,6-hexamethyl-2H-pyridine
CID 57045996

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1-propan-2-yl-2,3-dihydropyrrole?
The IUPAC name of 4,5-dimethyl-1-propan-2-yl-2,3-dihydropyrrole (CID 126707368) is 4,5-dimethyl-1-propan-2-yl-2,3-dihydropyrrole.
What is the SMILES notation for 4,5-dimethyl-1-propan-2-yl-2,3-dihydropyrrole?
The canonical SMILES for 4,5-dimethyl-1-propan-2-yl-2,3-dihydropyrrole is CC1=C(C)N(C(C)C)CC1.
What is the InChIKey of 4,5-dimethyl-1-propan-2-yl-2,3-dihydropyrrole?
The InChIKey is JXZSINGWLKITSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-7(2)10-6-5-8(3)9(10)4/h7H,5-6H2,1-4H3.
What are the key properties of 4,5-dimethyl-1-propan-2-yl-2,3-dihydropyrrole?
4,5-dimethyl-1-propan-2-yl-2,3-dihydropyrrole has a molecular weight of 139.24 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1-propan-2-yl-2,3-dihydropyrrole is sourced from PubChem (CID 126707368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).