(4Z,6Z)-6-methyl-3-methylidene-2-[(2S)-pyrrolidin-2-yl]octa-4,6-dien-2-ol

C14H23NO — CID 155010578

IUPAC(4Z,6Z)-6-methyl-3-methylidene-2-[(2S)-pyrrolidin-2-yl]octa-4,6-dien-2-ol
SMILESC=C(/C=C\C(C)=C/C)C(C)(O)[C@@H]1CCCN1
InChIInChI=1S/C14H23NO/c1-5-11(2)8-9-12(3)14(4,16)13-7-6-10-15-13/h5,8-9,13,15-16H,3,6-7,10H2,1-2,4H3/b9-8-,11-5-/t13-,14?/m0/s1
InChIKeyZCZVRVCIUNHBOY-FWEABIJCSA-N
MW221.34 g/mol
LogP2.57
Rot. Bonds4

About (4Z,6Z)-6-methyl-3-methylidene-2-[(2S)-pyrrolidin-2-yl]octa-4,6-dien-2-ol

(4Z,6Z)-6-methyl-3-methylidene-2-[(2S)-pyrrolidin-2-yl]octa-4,6-dien-2-ol (PubChem CID 155010578) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (4Z,6Z)-6-methyl-3-methylidene-2-[(2S)-pyrrolidin-2-yl]octa-4,6-dien-2-ol.

Molecular Properties

Compound Name(4Z,6Z)-6-methyl-3-methylidene-2-[(2S)-pyrrolidin-2-yl]octa-4,6-dien-2-ol
PubChem CID155010578
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(4Z,6Z)-6-methyl-3-methylidene-2-[(2S)-pyrrolidin-2-yl]octa-4,6-dien-2-ol
SMILESC=C(/C=C\C(C)=C/C)C(C)(O)[C@@H]1CCCN1
InChIInChI=1S/C14H23NO/c1-5-11(2)8-9-12(3)14(4,16)13-7-6-10-15-13/h5,8-9,13,15-16H,3,6-7,10H2,1-2,4H3/b9-8-,11-5-/t13-,14?/m0/s1
InChIKeyZCZVRVCIUNHBOY-FWEABIJCSA-N
XLogP2.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-6-methyl-3-methylidene-2-[(2S)-pyrrolidin-2-yl]octa-4,6-dien-2-ol?
The IUPAC name of (4Z,6Z)-6-methyl-3-methylidene-2-[(2S)-pyrrolidin-2-yl]octa-4,6-dien-2-ol (CID 155010578) is (4Z,6Z)-6-methyl-3-methylidene-2-[(2S)-pyrrolidin-2-yl]octa-4,6-dien-2-ol.
What is the SMILES notation for (4Z,6Z)-6-methyl-3-methylidene-2-[(2S)-pyrrolidin-2-yl]octa-4,6-dien-2-ol?
The canonical SMILES for (4Z,6Z)-6-methyl-3-methylidene-2-[(2S)-pyrrolidin-2-yl]octa-4,6-dien-2-ol is C=C(/C=C\C(C)=C/C)C(C)(O)[C@@H]1CCCN1.
What is the InChIKey of (4Z,6Z)-6-methyl-3-methylidene-2-[(2S)-pyrrolidin-2-yl]octa-4,6-dien-2-ol?
The InChIKey is ZCZVRVCIUNHBOY-FWEABIJCSA-N. The full InChI is InChI=1S/C14H23NO/c1-5-11(2)8-9-12(3)14(4,16)13-7-6-10-15-13/h5,8-9,13,15-16H,3,6-7,10H2,1-2,4H3/b9-8-,11-5-/t13-,14?/m0/s1.
What are the key properties of (4Z,6Z)-6-methyl-3-methylidene-2-[(2S)-pyrrolidin-2-yl]octa-4,6-dien-2-ol?
(4Z,6Z)-6-methyl-3-methylidene-2-[(2S)-pyrrolidin-2-yl]octa-4,6-dien-2-ol has a molecular weight of 221.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-6-methyl-3-methylidene-2-[(2S)-pyrrolidin-2-yl]octa-4,6-dien-2-ol is sourced from PubChem (CID 155010578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).