(3S)-2-methylidene-1-[(4-methylphenyl)methyl]pyrrolidin-3-ol

C13H17NO — CID 129055601

IUPAC(3S)-2-methylidene-1-[(4-methylphenyl)methyl]pyrrolidin-3-ol
SMILESC=C1[C@@H](O)CCN1Cc1ccc(C)cc1
InChIInChI=1S/C13H17NO/c1-10-3-5-12(6-4-10)9-14-8-7-13(15)11(14)2/h3-6,13,15H,2,7-9H2,1H3/t13-/m0/s1
InChIKeyRPMAJLWJBGLQON-ZDUSSCGKSA-N
MW203.29 g/mol
LogP2.08
Rot. Bonds2

About (3S)-2-methylidene-1-[(4-methylphenyl)methyl]pyrrolidin-3-ol

(3S)-2-methylidene-1-[(4-methylphenyl)methyl]pyrrolidin-3-ol (PubChem CID 129055601) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (3S)-2-methylidene-1-[(4-methylphenyl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-2-methylidene-1-[(4-methylphenyl)methyl]pyrrolidin-3-ol
PubChem CID129055601
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(3S)-2-methylidene-1-[(4-methylphenyl)methyl]pyrrolidin-3-ol
SMILESC=C1[C@@H](O)CCN1Cc1ccc(C)cc1
InChIInChI=1S/C13H17NO/c1-10-3-5-12(6-4-10)9-14-8-7-13(15)11(14)2/h3-6,13,15H,2,7-9H2,1H3/t13-/m0/s1
InChIKeyRPMAJLWJBGLQON-ZDUSSCGKSA-N
XLogP2.08
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-2-methylidene-1-[(4-methylphenyl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3S)-2-methylidene-1-[(4-methylphenyl)methyl]pyrrolidin-3-ol (CID 129055601) is (3S)-2-methylidene-1-[(4-methylphenyl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S)-2-methylidene-1-[(4-methylphenyl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S)-2-methylidene-1-[(4-methylphenyl)methyl]pyrrolidin-3-ol is C=C1[C@@H](O)CCN1Cc1ccc(C)cc1.
What is the InChIKey of (3S)-2-methylidene-1-[(4-methylphenyl)methyl]pyrrolidin-3-ol?
The InChIKey is RPMAJLWJBGLQON-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17NO/c1-10-3-5-12(6-4-10)9-14-8-7-13(15)11(14)2/h3-6,13,15H,2,7-9H2,1H3/t13-/m0/s1.
What are the key properties of (3S)-2-methylidene-1-[(4-methylphenyl)methyl]pyrrolidin-3-ol?
(3S)-2-methylidene-1-[(4-methylphenyl)methyl]pyrrolidin-3-ol has a molecular weight of 203.29 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-methylidene-1-[(4-methylphenyl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 129055601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).