(3R)-3,5-dimethyl-3,4-dihydro-2H-pyrrole

C6H11N — CID 15939097

IUPAC(3R)-3,5-dimethyl-3,4-dihydro-2H-pyrrole
SMILESCC1=NC[C@H](C)C1
InChIInChI=1S/C6H11N/c1-5-3-6(2)7-4-5/h5H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyYONKKACQAULVDZ-RXMQYKEDSA-N
MW97.16 g/mol
LogP1.49
Rot. Bonds

About (3R)-3,5-dimethyl-3,4-dihydro-2H-pyrrole

(3R)-3,5-dimethyl-3,4-dihydro-2H-pyrrole (PubChem CID 15939097) has the molecular formula C6H11N and a molecular weight of 97.16 g/mol. Its IUPAC name is (3R)-3,5-dimethyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name(3R)-3,5-dimethyl-3,4-dihydro-2H-pyrrole
PubChem CID15939097
Molecular FormulaC6H11N
Molecular Weight97.16 g/mol
Exact Mass97.09
IUPAC Name(3R)-3,5-dimethyl-3,4-dihydro-2H-pyrrole
SMILESCC1=NC[C@H](C)C1
InChIInChI=1S/C6H11N/c1-5-3-6(2)7-4-5/h5H,3-4H2,1-2H3/t5-/m1/s1
InChIKeyYONKKACQAULVDZ-RXMQYKEDSA-N
XLogP1.49
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.16
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (3R)-3,5-dimethyl-3,4-dihydro-2H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-1-pyrroline
CID 70103
5-tert-butyl-3,4-dihydro-2H-pyrrole
CID 2777143
3,5-dimethyl-3,4-dihydro-2H-pyrrole
CID 5323987
5-Cyclopropyl-3,4-dihydro-2H-pyrrole
CID 10606711
2-Isopropyl-1-pyrroline
CID 11126203
2H-Pyrrole, 3,4-dihydro-3,3,5-trimethyl-
CID 12141939
Dimethyl-1-pyrroline
CID 12706237
4-Fluoro-3,3,5-trimethyl-2,4-dihydropyrrole
CID 68070892
5-[(2S)-1,1,1-trifluoropropan-2-yl]-3,4-dihydro-2H-pyrrole
CID 123958711
Pyrroline, 2-isobutyl
CID 58280054
4-ethyl-5-methyl-3,4-dihydro-2H-pyrrole
CID 12791710
5-Ethyl-3,3-dimethyl-2,4-dihydropyrrole
CID 15652690

Frequently Asked Questions

What is the IUPAC name of (3R)-3,5-dimethyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of (3R)-3,5-dimethyl-3,4-dihydro-2H-pyrrole (CID 15939097) is (3R)-3,5-dimethyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for (3R)-3,5-dimethyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for (3R)-3,5-dimethyl-3,4-dihydro-2H-pyrrole is CC1=NC[C@H](C)C1.
What is the InChIKey of (3R)-3,5-dimethyl-3,4-dihydro-2H-pyrrole?
The InChIKey is YONKKACQAULVDZ-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H11N/c1-5-3-6(2)7-4-5/h5H,3-4H2,1-2H3/t5-/m1/s1.
What are the key properties of (3R)-3,5-dimethyl-3,4-dihydro-2H-pyrrole?
(3R)-3,5-dimethyl-3,4-dihydro-2H-pyrrole has a molecular weight of 97.16 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,5-dimethyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 15939097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).