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

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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).