(3R,4R)-1-[(2S,4Z,6Z)-2-(methylamino)-3-methylideneocta-4,6-dienyl]pyrrolidine-3,4-diol

C14H24N2O2 — CID 146260635

IUPAC(3R,4R)-1-[(2S,4Z,6Z)-2-(methylamino)-3-methylideneocta-4,6-dienyl]pyrrolidine-3,4-diol
SMILESC=C(/C=C\C=C/C)[C@@H](CN1C[C@@H](O)[C@H](O)C1)NC
InChIInChI=1S/C14H24N2O2/c1-4-5-6-7-11(2)12(15-3)8-16-9-13(17)14(18)10-16/h4-7,12-15,17-18H,2,8-10H2,1,3H3/b5-4-,7-6-/t12-,13-,14-/m1/s1
InChIKeyYCWHMQFJHIVQCM-DFUJCXCXSA-N
MW252.36 g/mol
LogP0.30
Rot. Bonds6

About (3R,4R)-1-[(2S,4Z,6Z)-2-(methylamino)-3-methylideneocta-4,6-dienyl]pyrrolidine-3,4-diol

(3R,4R)-1-[(2S,4Z,6Z)-2-(methylamino)-3-methylideneocta-4,6-dienyl]pyrrolidine-3,4-diol (PubChem CID 146260635) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (3R,4R)-1-[(2S,4Z,6Z)-2-(methylamino)-3-methylideneocta-4,6-dienyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R)-1-[(2S,4Z,6Z)-2-(methylamino)-3-methylideneocta-4,6-dienyl]pyrrolidine-3,4-diol
PubChem CID146260635
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(3R,4R)-1-[(2S,4Z,6Z)-2-(methylamino)-3-methylideneocta-4,6-dienyl]pyrrolidine-3,4-diol
SMILESC=C(/C=C\C=C/C)[C@@H](CN1C[C@@H](O)[C@H](O)C1)NC
InChIInChI=1S/C14H24N2O2/c1-4-5-6-7-11(2)12(15-3)8-16-9-13(17)14(18)10-16/h4-7,12-15,17-18H,2,8-10H2,1,3H3/b5-4-,7-6-/t12-,13-,14-/m1/s1
InChIKeyYCWHMQFJHIVQCM-DFUJCXCXSA-N
XLogP0.30
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (3R,4R)-1-[(2S,4Z,6Z)-2-(methylamino)-3-methylideneocta-4,6-dienyl]pyrrolidine-3,4-diol 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 (3R,4R)-1-[(2S,4Z,6Z)-2-(methylamino)-3-methylideneocta-4,6-dienyl]pyrrolidine-3,4-diol?
The IUPAC name of (3R,4R)-1-[(2S,4Z,6Z)-2-(methylamino)-3-methylideneocta-4,6-dienyl]pyrrolidine-3,4-diol (CID 146260635) is (3R,4R)-1-[(2S,4Z,6Z)-2-(methylamino)-3-methylideneocta-4,6-dienyl]pyrrolidine-3,4-diol.
What is the SMILES notation for (3R,4R)-1-[(2S,4Z,6Z)-2-(methylamino)-3-methylideneocta-4,6-dienyl]pyrrolidine-3,4-diol?
The canonical SMILES for (3R,4R)-1-[(2S,4Z,6Z)-2-(methylamino)-3-methylideneocta-4,6-dienyl]pyrrolidine-3,4-diol is C=C(/C=C\C=C/C)[C@@H](CN1C[C@@H](O)[C@H](O)C1)NC.
What is the InChIKey of (3R,4R)-1-[(2S,4Z,6Z)-2-(methylamino)-3-methylideneocta-4,6-dienyl]pyrrolidine-3,4-diol?
The InChIKey is YCWHMQFJHIVQCM-DFUJCXCXSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-4-5-6-7-11(2)12(15-3)8-16-9-13(17)14(18)10-16/h4-7,12-15,17-18H,2,8-10H2,1,3H3/b5-4-,7-6-/t12-,13-,14-/m1/s1.
What are the key properties of (3R,4R)-1-[(2S,4Z,6Z)-2-(methylamino)-3-methylideneocta-4,6-dienyl]pyrrolidine-3,4-diol?
(3R,4R)-1-[(2S,4Z,6Z)-2-(methylamino)-3-methylideneocta-4,6-dienyl]pyrrolidine-3,4-diol has a molecular weight of 252.36 g/mol, XLogP of 0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[(2S,4Z,6Z)-2-(methylamino)-3-methylideneocta-4,6-dienyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 146260635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).