(2S)-1-(cyclopenta-2,4-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine

C12H19NO — CID 12062258

IUPAC(2S)-1-(cyclopenta-2,4-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine
SMILESCOC[C@@H]1CCCN1CC1C=CC=C1
InChIInChI=1S/C12H19NO/c1-14-10-12-7-4-8-13(12)9-11-5-2-3-6-11/h2-3,5-6,11-12H,4,7-10H2,1H3/t12-/m0/s1
InChIKeyPODUSAUEPPENHD-LBPRGKRZSA-N
MW193.29 g/mol
LogP1.84
Rot. Bonds4

About (2S)-1-(cyclopenta-2,4-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine

(2S)-1-(cyclopenta-2,4-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine (PubChem CID 12062258) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (2S)-1-(cyclopenta-2,4-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-(cyclopenta-2,4-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine
PubChem CID12062258
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(2S)-1-(cyclopenta-2,4-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine
SMILESCOC[C@@H]1CCCN1CC1C=CC=C1
InChIInChI=1S/C12H19NO/c1-14-10-12-7-4-8-13(12)9-11-5-2-3-6-11/h2-3,5-6,11-12H,4,7-10H2,1H3/t12-/m0/s1
InChIKeyPODUSAUEPPENHD-LBPRGKRZSA-N
XLogP1.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2S)-1-(cyclopenta-2,4-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(cyclopenta-2,4-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine?
The IUPAC name of (2S)-1-(cyclopenta-2,4-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine (CID 12062258) is (2S)-1-(cyclopenta-2,4-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine.
What is the SMILES notation for (2S)-1-(cyclopenta-2,4-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine?
The canonical SMILES for (2S)-1-(cyclopenta-2,4-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine is COC[C@@H]1CCCN1CC1C=CC=C1.
What is the InChIKey of (2S)-1-(cyclopenta-2,4-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine?
The InChIKey is PODUSAUEPPENHD-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H19NO/c1-14-10-12-7-4-8-13(12)9-11-5-2-3-6-11/h2-3,5-6,11-12H,4,7-10H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-1-(cyclopenta-2,4-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine?
(2S)-1-(cyclopenta-2,4-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine has a molecular weight of 193.29 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(cyclopenta-2,4-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 12062258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).