4-ethylidene-7-methyl-1-pyrrolidin-1-ylocta-5,7-dien-3-ol

C15H25NO — CID 123772804

IUPAC4-ethylidene-7-methyl-1-pyrrolidin-1-ylocta-5,7-dien-3-ol
SMILESC=C(C)C=CC(=CC)C(O)CCN1CCCC1
InChIInChI=1S/C15H25NO/c1-4-14(8-7-13(2)3)15(17)9-12-16-10-5-6-11-16/h4,7-8,15,17H,2,5-6,9-12H2,1,3H3
InChIKeyROGXQGOJLBCGCK-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.91
Rot. Bonds6

About 4-ethylidene-7-methyl-1-pyrrolidin-1-ylocta-5,7-dien-3-ol

4-ethylidene-7-methyl-1-pyrrolidin-1-ylocta-5,7-dien-3-ol (PubChem CID 123772804) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-ethylidene-7-methyl-1-pyrrolidin-1-ylocta-5,7-dien-3-ol.

Molecular Properties

Compound Name4-ethylidene-7-methyl-1-pyrrolidin-1-ylocta-5,7-dien-3-ol
PubChem CID123772804
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-ethylidene-7-methyl-1-pyrrolidin-1-ylocta-5,7-dien-3-ol
SMILESC=C(C)C=CC(=CC)C(O)CCN1CCCC1
InChIInChI=1S/C15H25NO/c1-4-14(8-7-13(2)3)15(17)9-12-16-10-5-6-11-16/h4,7-8,15,17H,2,5-6,9-12H2,1,3H3
InChIKeyROGXQGOJLBCGCK-UHFFFAOYSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-(1-fluoroethenyl)-6-methoxy-1-pyrrolidin-1-ylhepta-4,6-dien-3-ol
CID 144811357
2-(N,N-diethylaminomethyl)-2,4-dimethylphenol
CID 129706337
6-[(Dimethylamino)methyl]-2,6-dimethylcyclohexa-2,4-dien-1-ol
CID 69195747
6-(Diethylaminomethyl)-3,6-dimethylcyclohexa-2,4-dien-1-ol
CID 70397430
(3S,4E,6Z)-1-(dimethylamino)-4-methylocta-4,6-dien-3-ol
CID 89340754
(2R,3R,4E,5Z)-2-amino-4-ethylidene-7-methyl-1-pyrrolidin-1-ylocta-5,7-dien-3-ol
CID 117975823
1-Cyclohexa-1,5-dien-1-yl-2-pyrrolidin-1-ylpropan-1-ol
CID 118056216
6-[(Dimethylamino)methyl]-4-methylcyclohexa-2,4-dien-1-ol
CID 118368980
4-ethyl-1-methanidyl-3-[(Z)-prop-1-enyl]-2,5-dihydropyrrol-2-ol
CID 123481407
4-Ethylidene-7-methyl-6-propoxy-1-pyrrolidin-1-ylocta-5,7-dien-3-ol
CID 123749955
(E)-1-(dimethylamino)-4-ethenylhex-4-en-3-ol
CID 130427649
(Z,2E)-2-(pyrrolidin-1-ylmethylidene)hex-3-en-1-ol
CID 132137087

Frequently Asked Questions

What is the IUPAC name of 4-ethylidene-7-methyl-1-pyrrolidin-1-ylocta-5,7-dien-3-ol?
The IUPAC name of 4-ethylidene-7-methyl-1-pyrrolidin-1-ylocta-5,7-dien-3-ol (CID 123772804) is 4-ethylidene-7-methyl-1-pyrrolidin-1-ylocta-5,7-dien-3-ol.
What is the SMILES notation for 4-ethylidene-7-methyl-1-pyrrolidin-1-ylocta-5,7-dien-3-ol?
The canonical SMILES for 4-ethylidene-7-methyl-1-pyrrolidin-1-ylocta-5,7-dien-3-ol is C=C(C)C=CC(=CC)C(O)CCN1CCCC1.
What is the InChIKey of 4-ethylidene-7-methyl-1-pyrrolidin-1-ylocta-5,7-dien-3-ol?
The InChIKey is ROGXQGOJLBCGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-14(8-7-13(2)3)15(17)9-12-16-10-5-6-11-16/h4,7-8,15,17H,2,5-6,9-12H2,1,3H3.
What are the key properties of 4-ethylidene-7-methyl-1-pyrrolidin-1-ylocta-5,7-dien-3-ol?
4-ethylidene-7-methyl-1-pyrrolidin-1-ylocta-5,7-dien-3-ol has a molecular weight of 235.37 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidene-7-methyl-1-pyrrolidin-1-ylocta-5,7-dien-3-ol is sourced from PubChem (CID 123772804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).