4-ethylidene-7-methyl-6-propoxy-1-pyrrolidin-1-ylocta-5,7-dien-3-ol

C18H31NO2 — CID 123749955

IUPAC4-ethylidene-7-methyl-6-propoxy-1-pyrrolidin-1-ylocta-5,7-dien-3-ol
SMILESC=C(C)C(=CC(=CC)C(O)CCN1CCCC1)OCCC
InChIInChI=1S/C18H31NO2/c1-5-13-21-18(15(3)4)14-16(6-2)17(20)9-12-19-10-7-8-11-19/h6,14,17,20H,3,5,7-13H2,1-2,4H3
InChIKeyXBAMUDDPDBHXRA-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.67
Rot. Bonds9

About 4-ethylidene-7-methyl-6-propoxy-1-pyrrolidin-1-ylocta-5,7-dien-3-ol

4-ethylidene-7-methyl-6-propoxy-1-pyrrolidin-1-ylocta-5,7-dien-3-ol (PubChem CID 123749955) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 4-ethylidene-7-methyl-6-propoxy-1-pyrrolidin-1-ylocta-5,7-dien-3-ol.

Molecular Properties

Compound Name4-ethylidene-7-methyl-6-propoxy-1-pyrrolidin-1-ylocta-5,7-dien-3-ol
PubChem CID123749955
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name4-ethylidene-7-methyl-6-propoxy-1-pyrrolidin-1-ylocta-5,7-dien-3-ol
SMILESC=C(C)C(=CC(=CC)C(O)CCN1CCCC1)OCCC
InChIInChI=1S/C18H31NO2/c1-5-13-21-18(15(3)4)14-16(6-2)17(20)9-12-19-10-7-8-11-19/h6,14,17,20H,3,5,7-13H2,1-2,4H3
InChIKeyXBAMUDDPDBHXRA-UHFFFAOYSA-N
XLogP3.67
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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
(2R,3R,4E,5E)-2-amino-4-ethylidene-7-methyl-6-propoxy-1-pyrrolidin-1-ylocta-5,7-dien-3-ol
CID 117975844
1-(2,3,4a,5-Tetrahydro-1,4-benzodioxin-7-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 118402920
4-Ethylidene-7-methyl-1-pyrrolidin-1-ylocta-5,7-dien-3-ol
CID 123772804
(1S)-1-(4-methoxycyclohexa-1,5-dien-1-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 132152326
4-(1-Hydroxy-3-pyrrolidin-1-ylpropyl)cyclohexa-2,4-dien-1-ol
CID 143615592
3-(4-Methoxycyclohexa-1,5-dien-1-yl)-1-pyrrolidin-1-ylpropan-1-ol
CID 143615614
(4E,5Z,7Z)-8-chloro-4-ethylidene-7-propoxy-1-pyrrolidin-1-ylocta-5,7-dien-3-ol
CID 144840065
2-methyl-1-[(6Z,8E)-10-methylidene-3,5-dihydro-2H-1,4-dioxecin-8-yl]-3-pyrrolidin-1-ylpropan-1-ol
CID 146385742
(1S)-1-(4-ethoxybenzene-5-id-1-yl)-3-pyrrolidin-1-ylpropan-1-ol;uranium(2+)
CID 153357481
1-[6-methoxy-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]cyclohexa-2,4-dien-1-yl]ethanol
CID 154558336
(E,6E)-6-(6,6-dimethyl-3-methylideneoxan-2-ylidene)-4-methyl-1-pyrrolidin-1-ylhex-4-en-3-ol
CID 163887268

Frequently Asked Questions

What is the IUPAC name of 4-ethylidene-7-methyl-6-propoxy-1-pyrrolidin-1-ylocta-5,7-dien-3-ol?
The IUPAC name of 4-ethylidene-7-methyl-6-propoxy-1-pyrrolidin-1-ylocta-5,7-dien-3-ol (CID 123749955) is 4-ethylidene-7-methyl-6-propoxy-1-pyrrolidin-1-ylocta-5,7-dien-3-ol.
What is the SMILES notation for 4-ethylidene-7-methyl-6-propoxy-1-pyrrolidin-1-ylocta-5,7-dien-3-ol?
The canonical SMILES for 4-ethylidene-7-methyl-6-propoxy-1-pyrrolidin-1-ylocta-5,7-dien-3-ol is C=C(C)C(=CC(=CC)C(O)CCN1CCCC1)OCCC.
What is the InChIKey of 4-ethylidene-7-methyl-6-propoxy-1-pyrrolidin-1-ylocta-5,7-dien-3-ol?
The InChIKey is XBAMUDDPDBHXRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-5-13-21-18(15(3)4)14-16(6-2)17(20)9-12-19-10-7-8-11-19/h6,14,17,20H,3,5,7-13H2,1-2,4H3.
What are the key properties of 4-ethylidene-7-methyl-6-propoxy-1-pyrrolidin-1-ylocta-5,7-dien-3-ol?
4-ethylidene-7-methyl-6-propoxy-1-pyrrolidin-1-ylocta-5,7-dien-3-ol has a molecular weight of 293.45 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidene-7-methyl-6-propoxy-1-pyrrolidin-1-ylocta-5,7-dien-3-ol is sourced from PubChem (CID 123749955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).