1-[(E)-6,7-dimethoxy-4-methylidenenon-5-enyl]pyrrolidine

C16H29NO2 — CID 135225581

IUPAC1-[(E)-6,7-dimethoxy-4-methylidenenon-5-enyl]pyrrolidine
SMILESC=C(/C=C(/OC)C(CC)OC)CCCN1CCCC1
InChIInChI=1S/C16H29NO2/c1-5-15(18-3)16(19-4)13-14(2)9-8-12-17-10-6-7-11-17/h13,15H,2,5-12H2,1,3-4H3/b16-13+
InChIKeyGOUKWPPKUIZDHF-DTQAZKPQSA-N
MW267.41 g/mol
LogP3.37
Rot. Bonds9

About 1-[(E)-6,7-dimethoxy-4-methylidenenon-5-enyl]pyrrolidine

1-[(E)-6,7-dimethoxy-4-methylidenenon-5-enyl]pyrrolidine (PubChem CID 135225581) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 1-[(E)-6,7-dimethoxy-4-methylidenenon-5-enyl]pyrrolidine.

Molecular Properties

Compound Name1-[(E)-6,7-dimethoxy-4-methylidenenon-5-enyl]pyrrolidine
PubChem CID135225581
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name1-[(E)-6,7-dimethoxy-4-methylidenenon-5-enyl]pyrrolidine
SMILESC=C(/C=C(/OC)C(CC)OC)CCCN1CCCC1
InChIInChI=1S/C16H29NO2/c1-5-15(18-3)16(19-4)13-14(2)9-8-12-17-10-6-7-11-17/h13,15H,2,5-12H2,1,3-4H3/b16-13+
InChIKeyGOUKWPPKUIZDHF-DTQAZKPQSA-N
XLogP3.37
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.37
H-Bond Donors ≤ 50
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

1-[3-[4-Methoxy-5-(1,2,2-trifluoroethoxy)cyclohexa-1,5-dien-1-yl]propyl]pyrrolidine
CID 143865873
1-[(Z)-4-[(E)-[(3Z)-3-(fluoromethylidene)-1,4-dioxan-2-ylidene]methyl]hex-4-enyl]pyrrolidine
CID 144839997
1-[(E,6E)-6-(1,4-dioxan-2-ylidene)-4-ethylhex-4-enyl]pyrrolidine
CID 88234278
1-[3-(2,3,4a,5-Tetrahydro-1,4-benzodioxin-7-yl)propyl]pyrrolidine
CID 91256654
1-[(5Z,7E)-7-butoxy-4-methylidenenona-5,7-dienyl]pyrrolidine
CID 129295757
1-[(Z)-4-[(E)-(3-methylidene-1,4-dioxan-2-ylidene)methyl]hex-4-enyl]pyrrolidine
CID 129295807
1-[3-(3,9a-dihydro-2H-cyclohepta[b][1,4]dioxin-7-yl)propyl]pyrrolidine
CID 129295823
1-[(E,6E)-6-(1,4-dioxan-2-ylidene)-4-methylhex-4-enyl]pyrrolidine
CID 132152356
1-[(5Z,7Z)-8-chloro-7-ethenoxy-4-methylidenenona-5,7-dienyl]pyrrolidine
CID 134288514
1-[(Z,6E)-6-(1,4-dioxan-2-ylidene)-4-ethenylhex-4-enyl]pyrrolidine
CID 135225329
1-[3-[(5E,7Z,9E)-10-methyl-2,3-dihydro-1,4-dioxecin-7-yl]propyl]pyrrolidine
CID 135225338
1-[(E,6E)-4-methyl-6-(3-methylideneoxan-2-ylidene)hex-4-enyl]pyrrolidine
CID 135225340

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-6,7-dimethoxy-4-methylidenenon-5-enyl]pyrrolidine?
The IUPAC name of 1-[(E)-6,7-dimethoxy-4-methylidenenon-5-enyl]pyrrolidine (CID 135225581) is 1-[(E)-6,7-dimethoxy-4-methylidenenon-5-enyl]pyrrolidine.
What is the SMILES notation for 1-[(E)-6,7-dimethoxy-4-methylidenenon-5-enyl]pyrrolidine?
The canonical SMILES for 1-[(E)-6,7-dimethoxy-4-methylidenenon-5-enyl]pyrrolidine is C=C(/C=C(/OC)C(CC)OC)CCCN1CCCC1.
What is the InChIKey of 1-[(E)-6,7-dimethoxy-4-methylidenenon-5-enyl]pyrrolidine?
The InChIKey is GOUKWPPKUIZDHF-DTQAZKPQSA-N. The full InChI is InChI=1S/C16H29NO2/c1-5-15(18-3)16(19-4)13-14(2)9-8-12-17-10-6-7-11-17/h13,15H,2,5-12H2,1,3-4H3/b16-13+.
What are the key properties of 1-[(E)-6,7-dimethoxy-4-methylidenenon-5-enyl]pyrrolidine?
1-[(E)-6,7-dimethoxy-4-methylidenenon-5-enyl]pyrrolidine has a molecular weight of 267.41 g/mol, XLogP of 3.37, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-6,7-dimethoxy-4-methylidenenon-5-enyl]pyrrolidine is sourced from PubChem (CID 135225581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).