1-[4-[(1S,2S)-2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]phenyl]pyrrole

C19H24N2 — CID 141347408

IUPAC1-[4-[(1S,2S)-2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]phenyl]pyrrole
SMILESC[C@H]1CCCN1C[C@H]1C[C@@H]1c1ccc(-n2cccc2)cc1
InChIInChI=1S/C19H24N2/c1-15-5-4-12-21(15)14-17-13-19(17)16-6-8-18(9-7-16)20-10-2-3-11-20/h2-3,6-11,15,17,19H,4-5,12-14H2,1H3/t15-,17+,19+/m0/s1
InChIKeyBGUQEBWPBGZTOQ-KVSKMBFKSA-N
MW280.42 g/mol
LogP4.07
Rot. Bonds4

About 1-[4-[(1S,2S)-2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]phenyl]pyrrole

1-[4-[(1S,2S)-2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]phenyl]pyrrole (PubChem CID 141347408) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-[4-[(1S,2S)-2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]phenyl]pyrrole.

Molecular Properties

Compound Name1-[4-[(1S,2S)-2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]phenyl]pyrrole
PubChem CID141347408
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name1-[4-[(1S,2S)-2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]phenyl]pyrrole
SMILESC[C@H]1CCCN1C[C@H]1C[C@@H]1c1ccc(-n2cccc2)cc1
InChIInChI=1S/C19H24N2/c1-15-5-4-12-21(15)14-17-13-19(17)16-6-8-18(9-7-16)20-10-2-3-11-20/h2-3,6-11,15,17,19H,4-5,12-14H2,1H3/t15-,17+,19+/m0/s1
InChIKeyBGUQEBWPBGZTOQ-KVSKMBFKSA-N
XLogP4.07
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-[(1S,2S)-2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]phenyl]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

1-[4-[(1S,2S)-2-[[(2R)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]phenyl]piperidine
CID 67054638
(2S)-2-methyl-1-[[(1R,2R)-2-(4-phenylphenyl)cyclopropyl]methyl]pyrrolidine
CID 141193185
(2R)-1-[[(1R,2R)-2-(4-bromophenyl)cyclopropyl]methyl]-2-methylpyrrolidine
CID 69230539
(2R)-1-[[(2R)-2-(4-bromophenyl)cyclopropyl]methyl]-2-methylpyrrolidine
CID 69230542
(2S)-1-[[(1R,2R)-2-(4-bromophenyl)cyclopropyl]methyl]-2-methylpyrrolidine;2,3-dihydroxybutanedioic acid;(2R)-2-methylpyrrolidine
CID 160684027
4-methyl-2-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-ol
CID 62610048
4-[4-[(1S)-2-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]cyclopropyl]phenyl]benzonitrile
CID 24781275
4-tert-butyl-2-[(2-methylpyrrolidin-1-yl)methyl]cyclohexan-1-ol
CID 55094860
1-[(2-phenylcyclopropyl)methyl]-2-(4-phenylphenyl)piperidin-4-ol
CID 18423515
2-[(2-methylpyrrolidin-1-yl)methyl]-4-propylcyclohexan-1-ol
CID 62610219
(2S)-2-methyl-1-[(2-nitrocyclopropyl)methyl]pyrrolidine
CID 122686192
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-methylpyrrolidine
CID 79318516

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1S,2S)-2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]phenyl]pyrrole?
The IUPAC name of 1-[4-[(1S,2S)-2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]phenyl]pyrrole (CID 141347408) is 1-[4-[(1S,2S)-2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]phenyl]pyrrole.
What is the SMILES notation for 1-[4-[(1S,2S)-2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]phenyl]pyrrole?
The canonical SMILES for 1-[4-[(1S,2S)-2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]phenyl]pyrrole is C[C@H]1CCCN1C[C@H]1C[C@@H]1c1ccc(-n2cccc2)cc1.
What is the InChIKey of 1-[4-[(1S,2S)-2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]phenyl]pyrrole?
The InChIKey is BGUQEBWPBGZTOQ-KVSKMBFKSA-N. The full InChI is InChI=1S/C19H24N2/c1-15-5-4-12-21(15)14-17-13-19(17)16-6-8-18(9-7-16)20-10-2-3-11-20/h2-3,6-11,15,17,19H,4-5,12-14H2,1H3/t15-,17+,19+/m0/s1.
What are the key properties of 1-[4-[(1S,2S)-2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]phenyl]pyrrole?
1-[4-[(1S,2S)-2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]phenyl]pyrrole has a molecular weight of 280.42 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1S,2S)-2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]cyclopropyl]phenyl]pyrrole is sourced from PubChem (CID 141347408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).