3-[5-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-5-methylpyrrolidin-3-yl]propan-1-ol

C16H27NO — CID 156639076

IUPAC3-[5-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-5-methylpyrrolidin-3-yl]propan-1-ol
SMILESC=C/C(=C\C=C/C)CC1(C)CC(CCCO)CN1
InChIInChI=1S/C16H27NO/c1-4-6-8-14(5-2)11-16(3)12-15(13-17-16)9-7-10-18/h4-6,8,15,17-18H,2,7,9-13H2,1,3H3/b6-4-,14-8+
InChIKeySVUUUAJTIFVBBX-FGDQGFBNSA-N
MW249.40 g/mol
LogP3.21
Rot. Bonds7

About 3-[5-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-5-methylpyrrolidin-3-yl]propan-1-ol

3-[5-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-5-methylpyrrolidin-3-yl]propan-1-ol (PubChem CID 156639076) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 3-[5-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-5-methylpyrrolidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-5-methylpyrrolidin-3-yl]propan-1-ol
PubChem CID156639076
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name3-[5-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-5-methylpyrrolidin-3-yl]propan-1-ol
SMILESC=C/C(=C\C=C/C)CC1(C)CC(CCCO)CN1
InChIInChI=1S/C16H27NO/c1-4-6-8-14(5-2)11-16(3)12-15(13-17-16)9-7-10-18/h4-6,8,15,17-18H,2,7,9-13H2,1,3H3/b6-4-,14-8+
InChIKeySVUUUAJTIFVBBX-FGDQGFBNSA-N
XLogP3.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[5-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-5-methylpyrrolidin-3-yl]propan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

4-(5-Methylideneocta-1,3,6-trien-4-yl)pyrrolidin-2-ol
CID 123898503
(5R)-4-[4-[(5-hydroxypentylamino)methyl]cyclohexen-1-yl]-5-methylcyclopenta-1,3-dien-1-ol
CID 126662991
(2R)-2-[(5,5-dimethylpyrrolidin-3-yl)methyl]pent-4-en-1-ol
CID 141177622
3-[(7aS)-2-methyl-2,3,3a,7a-tetrahydro-1H-indol-3-yl]propan-1-ol
CID 142190145
ethane;3-[5-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-5-methylpyrrolidin-3-yl]propan-1-ol
CID 156639075
1-[3-(5-Methylcyclohexa-1,3-dien-1-yl)-1-azaspiro[4.5]decan-4-yl]propan-1-ol
CID 169941249
4-[2-[[(3E,5Z)-3-ethenyl-2,5-dimethylhepta-3,5-dienyl]amino]-2-methylpropyl]cyclohexan-1-ol
CID 172235460

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-5-methylpyrrolidin-3-yl]propan-1-ol?
The IUPAC name of 3-[5-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-5-methylpyrrolidin-3-yl]propan-1-ol (CID 156639076) is 3-[5-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-5-methylpyrrolidin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[5-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-5-methylpyrrolidin-3-yl]propan-1-ol?
The canonical SMILES for 3-[5-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-5-methylpyrrolidin-3-yl]propan-1-ol is C=C/C(=C\C=C/C)CC1(C)CC(CCCO)CN1.
What is the InChIKey of 3-[5-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-5-methylpyrrolidin-3-yl]propan-1-ol?
The InChIKey is SVUUUAJTIFVBBX-FGDQGFBNSA-N. The full InChI is InChI=1S/C16H27NO/c1-4-6-8-14(5-2)11-16(3)12-15(13-17-16)9-7-10-18/h4-6,8,15,17-18H,2,7,9-13H2,1,3H3/b6-4-,14-8+.
What are the key properties of 3-[5-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-5-methylpyrrolidin-3-yl]propan-1-ol?
3-[5-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-5-methylpyrrolidin-3-yl]propan-1-ol has a molecular weight of 249.40 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]-5-methylpyrrolidin-3-yl]propan-1-ol is sourced from PubChem (CID 156639076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).