2,3-dimethyl-1-propyl-2,3-dihydropyrrole

C9H17N — CID 144601769

IUPAC2,3-dimethyl-1-propyl-2,3-dihydropyrrole
SMILESCCCN1C=CC(C)C1C
InChIInChI=1S/C9H17N/c1-4-6-10-7-5-8(2)9(10)3/h5,7-9H,4,6H2,1-3H3
InChIKeyFEMQEILPODBBOT-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.25
Rot. Bonds2

About 2,3-dimethyl-1-propyl-2,3-dihydropyrrole

2,3-dimethyl-1-propyl-2,3-dihydropyrrole (PubChem CID 144601769) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2,3-dimethyl-1-propyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name2,3-dimethyl-1-propyl-2,3-dihydropyrrole
PubChem CID144601769
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2,3-dimethyl-1-propyl-2,3-dihydropyrrole
SMILESCCCN1C=CC(C)C1C
InChIInChI=1S/C9H17N/c1-4-6-10-7-5-8(2)9(10)3/h5,7-9H,4,6H2,1-3H3
InChIKeyFEMQEILPODBBOT-UHFFFAOYSA-N
XLogP2.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-N-tert-butyl-N-propan-2-ylhex-1-en-1-amine
CID 101736325
1,2,3-Trimethyl-2,3-dihydropyrrole
CID 22893886
Tetramethyldihydropyrrole
CID 129818560
1-(2,3-Dimethylbutan-2-yl)-2-methyl-3-(trifluoromethyl)-2,3-dihydropyrrole
CID 155261879
1-(3-Fluoropropyl)-2-(2-methylpropyl)-2,3-dihydropyrrole
CID 170073250
(E)-N-(2-methylpropyl)-N-prop-2-enylbut-1-en-1-amine
CID 15063983
(E)-3-methyl-N,N-di(propan-2-yl)but-1-en-1-amine
CID 134853882
(E)-3,5,5-trimethyl-N,N-di(propan-2-yl)hex-1-en-1-amine
CID 134993260
Methyl amyl dihydropyrrole
CID 137530168
1-(N,N-Diisobutylamino)-1-pentene
CID 14836297
(E)-N,N-dibutyl-3-methylbut-1-en-1-amine
CID 15727622
1,2-Di(propan-2-yl)-2,3-dihydropyrrole
CID 21063760

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-propyl-2,3-dihydropyrrole?
The IUPAC name of 2,3-dimethyl-1-propyl-2,3-dihydropyrrole (CID 144601769) is 2,3-dimethyl-1-propyl-2,3-dihydropyrrole.
What is the SMILES notation for 2,3-dimethyl-1-propyl-2,3-dihydropyrrole?
The canonical SMILES for 2,3-dimethyl-1-propyl-2,3-dihydropyrrole is CCCN1C=CC(C)C1C.
What is the InChIKey of 2,3-dimethyl-1-propyl-2,3-dihydropyrrole?
The InChIKey is FEMQEILPODBBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-4-6-10-7-5-8(2)9(10)3/h5,7-9H,4,6H2,1-3H3.
What are the key properties of 2,3-dimethyl-1-propyl-2,3-dihydropyrrole?
2,3-dimethyl-1-propyl-2,3-dihydropyrrole has a molecular weight of 139.24 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-propyl-2,3-dihydropyrrole is sourced from PubChem (CID 144601769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).