(2S)-1-(cyclopenta-1,3-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine

C12H19NO — CID 89305211

IUPAC(2S)-1-(cyclopenta-1,3-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine
SMILESCOC[C@@H]1CCCN1CC1=CC=CC1
InChIInChI=1S/C12H19NO/c1-14-10-12-7-4-8-13(12)9-11-5-2-3-6-11/h2-3,5,12H,4,6-10H2,1H3/t12-/m0/s1
InChIKeyKUNUIVBRBDZTPQ-LBPRGKRZSA-N
MW193.29 g/mol
LogP1.98
Rot. Bonds4

About (2S)-1-(cyclopenta-1,3-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine

(2S)-1-(cyclopenta-1,3-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine (PubChem CID 89305211) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (2S)-1-(cyclopenta-1,3-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-(cyclopenta-1,3-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine
PubChem CID89305211
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(2S)-1-(cyclopenta-1,3-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine
SMILESCOC[C@@H]1CCCN1CC1=CC=CC1
InChIInChI=1S/C12H19NO/c1-14-10-12-7-4-8-13(12)9-11-5-2-3-6-11/h2-3,5,12H,4,6-10H2,1H3/t12-/m0/s1
InChIKeyKUNUIVBRBDZTPQ-LBPRGKRZSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-[1-(cyclohexen-1-yl)ethenyl]-2-(methoxymethyl)pyrrolidine
CID 135085876
(4Z)-4-(1-fluoroethylidene)-2-(methoxymethyl)-1-methylpyrrolidine
CID 172247173
Hipzjvzlcdaihx-qpjjxvbhsa-
CID 13464679
(2S)-1-(cyclopenta-2,4-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine
CID 12062258
(2S)-1-[(2-bromocyclopenta-2,4-dien-1-yl)methyl]-2-(methoxymethyl)pyrrolidine
CID 70940823
[(2S)-1-(cyclohepta-1,3,6-trien-1-ylmethyl)pyrrolidin-2-yl]methanol;ethane
CID 142268123
(2S)-1-(cyclohexa-2,4-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine
CID 143093350
(4E,6Z,8E)-1,4,9-trimethyl-3,3a,11,11a-tetrahydro-2H-oxecino[3,4-b]pyrrole
CID 144396247
2-(methoxymethyl)-1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]pyrrolidine
CID 153334066
1-(2-methoxyethyl)-2-[(E)-3-methylbut-1-enyl]pyrrolidine
CID 164922181
2-[(E)-but-1-enyl]-1-(2-methoxyethyl)pyrrolidine
CID 164922373
1-(2-methoxyethyl)-2-[(E)-prop-1-enyl]pyrrolidine
CID 164922688

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(cyclopenta-1,3-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine?
The IUPAC name of (2S)-1-(cyclopenta-1,3-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine (CID 89305211) is (2S)-1-(cyclopenta-1,3-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine.
What is the SMILES notation for (2S)-1-(cyclopenta-1,3-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine?
The canonical SMILES for (2S)-1-(cyclopenta-1,3-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine is COC[C@@H]1CCCN1CC1=CC=CC1.
What is the InChIKey of (2S)-1-(cyclopenta-1,3-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine?
The InChIKey is KUNUIVBRBDZTPQ-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/h2-3,5,12H,4,6-10H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-1-(cyclopenta-1,3-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine?
(2S)-1-(cyclopenta-1,3-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine has a molecular weight of 193.29 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(cyclopenta-1,3-dien-1-ylmethyl)-2-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 89305211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).