1-[(5E,7E)-6,7-dimethoxy-4-methylnona-5,7-dienyl]pyrrolidine

C16H29NO2 — CID 135225364

IUPAC1-[(5E,7E)-6,7-dimethoxy-4-methylnona-5,7-dienyl]pyrrolidine
SMILESC/C=C(OC)\C(=C/C(C)CCCN1CCCC1)OC
InChIInChI=1S/C16H29NO2/c1-5-15(18-3)16(19-4)13-14(2)9-8-12-17-10-6-7-11-17/h5,13-14H,6-12H2,1-4H3/b15-5+,16-13+
InChIKeyODBWTMBWZZUSSA-LIXVMJQCSA-N
MW267.41 g/mol
LogP3.58
Rot. Bonds8

About 1-[(5E,7E)-6,7-dimethoxy-4-methylnona-5,7-dienyl]pyrrolidine

1-[(5E,7E)-6,7-dimethoxy-4-methylnona-5,7-dienyl]pyrrolidine (PubChem CID 135225364) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 1-[(5E,7E)-6,7-dimethoxy-4-methylnona-5,7-dienyl]pyrrolidine.

Molecular Properties

Compound Name1-[(5E,7E)-6,7-dimethoxy-4-methylnona-5,7-dienyl]pyrrolidine
PubChem CID135225364
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name1-[(5E,7E)-6,7-dimethoxy-4-methylnona-5,7-dienyl]pyrrolidine
SMILESC/C=C(OC)\C(=C/C(C)CCCN1CCCC1)OC
InChIInChI=1S/C16H29NO2/c1-5-15(18-3)16(19-4)13-14(2)9-8-12-17-10-6-7-11-17/h5,13-14H,6-12H2,1-4H3/b15-5+,16-13+
InChIKeyODBWTMBWZZUSSA-LIXVMJQCSA-N
XLogP3.58
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.58
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-(7-Methyl-2,3,6,7-tetrahydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine
CID 91497755
1-[3-(2,3,6,7-Tetrahydro-1,4-benzodioxin-6-yl)propyl]pyrrolidine
CID 91504500
1-[3-(4-Methoxycyclohexa-2,4-dien-1-yl)propyl]pyrrolidine
CID 129295731
1-[(Z)-4-[(E)-(3-methylidene-1,4-dioxan-2-ylidene)methyl]hex-4-enyl]pyrrolidine
CID 129295807
1-[3-(3,6-dihydro-2H-cyclohepta[b][1,4]dioxin-6-yl)propyl]pyrrolidine
CID 129296018
1-[(E)-6,7-dimethoxy-4-methylidenenon-5-enyl]pyrrolidine
CID 135225581
1-[3-[(4aE,10E)-3,9-dihydro-2H-cycloocta[b][1,4]dioxin-9-yl]propyl]pyrrolidine
CID 145526701

Frequently Asked Questions

What is the IUPAC name of 1-[(5E,7E)-6,7-dimethoxy-4-methylnona-5,7-dienyl]pyrrolidine?
The IUPAC name of 1-[(5E,7E)-6,7-dimethoxy-4-methylnona-5,7-dienyl]pyrrolidine (CID 135225364) is 1-[(5E,7E)-6,7-dimethoxy-4-methylnona-5,7-dienyl]pyrrolidine.
What is the SMILES notation for 1-[(5E,7E)-6,7-dimethoxy-4-methylnona-5,7-dienyl]pyrrolidine?
The canonical SMILES for 1-[(5E,7E)-6,7-dimethoxy-4-methylnona-5,7-dienyl]pyrrolidine is C/C=C(OC)\C(=C/C(C)CCCN1CCCC1)OC.
What is the InChIKey of 1-[(5E,7E)-6,7-dimethoxy-4-methylnona-5,7-dienyl]pyrrolidine?
The InChIKey is ODBWTMBWZZUSSA-LIXVMJQCSA-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/h5,13-14H,6-12H2,1-4H3/b15-5+,16-13+.
What are the key properties of 1-[(5E,7E)-6,7-dimethoxy-4-methylnona-5,7-dienyl]pyrrolidine?
1-[(5E,7E)-6,7-dimethoxy-4-methylnona-5,7-dienyl]pyrrolidine has a molecular weight of 267.41 g/mol, XLogP of 3.58, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5E,7E)-6,7-dimethoxy-4-methylnona-5,7-dienyl]pyrrolidine is sourced from PubChem (CID 135225364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).