1-[(5Z,7Z)-8-chloro-7-ethenoxy-4-methylidenenona-5,7-dienyl]pyrrolidine

C16H24ClNO — CID 134288514

IUPAC1-[(5Z,7Z)-8-chloro-7-ethenoxy-4-methylidenenona-5,7-dienyl]pyrrolidine
SMILESC=COC(/C=C\C(=C)CCCN1CCCC1)=C(/C)Cl
InChIInChI=1S/C16H24ClNO/c1-4-19-16(15(3)17)10-9-14(2)8-7-13-18-11-5-6-12-18/h4,9-10H,1-2,5-8,11-13H2,3H3/b10-9-,16-15-
InChIKeyRWBSEGYKJOIRAG-GJWNNSPJSA-N
MW281.83 g/mol
LogP4.61
Rot. Bonds8

About 1-[(5Z,7Z)-8-chloro-7-ethenoxy-4-methylidenenona-5,7-dienyl]pyrrolidine

1-[(5Z,7Z)-8-chloro-7-ethenoxy-4-methylidenenona-5,7-dienyl]pyrrolidine (PubChem CID 134288514) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is 1-[(5Z,7Z)-8-chloro-7-ethenoxy-4-methylidenenona-5,7-dienyl]pyrrolidine.

Molecular Properties

Compound Name1-[(5Z,7Z)-8-chloro-7-ethenoxy-4-methylidenenona-5,7-dienyl]pyrrolidine
PubChem CID134288514
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name1-[(5Z,7Z)-8-chloro-7-ethenoxy-4-methylidenenona-5,7-dienyl]pyrrolidine
SMILESC=COC(/C=C\C(=C)CCCN1CCCC1)=C(/C)Cl
InChIInChI=1S/C16H24ClNO/c1-4-19-16(15(3)17)10-9-14(2)8-7-13-18-11-5-6-12-18/h4,9-10H,1-2,5-8,11-13H2,3H3/b10-9-,16-15-
InChIKeyRWBSEGYKJOIRAG-GJWNNSPJSA-N
XLogP4.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(4Z)-6-chloro-4-[(Z)-3-cyclopropyloxyprop-1-enyl]hepta-4,6-dienyl]pyrrolidine
CID 117975906
1-[(4Z)-4-[(E)-2-chloro-3-cyclopropyloxyprop-1-enyl]hepta-4,6-dienyl]pyrrolidine
CID 118058044
1-[(5Z,7E)-7-butoxy-4-methylidenenona-5,7-dienyl]pyrrolidine
CID 129295757
1-[3-(5-Cyclopropyloxycyclohepta-1,4,6-trien-1-yl)propyl]pyrrolidine
CID 134288520
1-[(E)-6,7-dimethoxy-4-methylidenenon-5-enyl]pyrrolidine
CID 135225581
(5E)-N-butyl-7-methoxy-N-methyl-4-methylideneocta-5,7-dien-1-amine
CID 139419803
N-methyl-N-[[(3Z,5Z,9E)-2-methyl-8-methylidene-2,7-dihydrooxecin-9-yl]methyl]prop-2-en-1-amine
CID 139539958
2-methyl-1-[3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypropyl]pyrrolidine
CID 143616553
1-Butylpyrrolidine;ethane;2-methoxy-3-methylcyclohexa-1,3-diene
CID 144287926
(Z)-N-butyl-4-[(Z)-3-methoxyprop-1-enyl]-N-methylhept-4-en-1-amine
CID 143615649

Frequently Asked Questions

What is the IUPAC name of 1-[(5Z,7Z)-8-chloro-7-ethenoxy-4-methylidenenona-5,7-dienyl]pyrrolidine?
The IUPAC name of 1-[(5Z,7Z)-8-chloro-7-ethenoxy-4-methylidenenona-5,7-dienyl]pyrrolidine (CID 134288514) is 1-[(5Z,7Z)-8-chloro-7-ethenoxy-4-methylidenenona-5,7-dienyl]pyrrolidine.
What is the SMILES notation for 1-[(5Z,7Z)-8-chloro-7-ethenoxy-4-methylidenenona-5,7-dienyl]pyrrolidine?
The canonical SMILES for 1-[(5Z,7Z)-8-chloro-7-ethenoxy-4-methylidenenona-5,7-dienyl]pyrrolidine is C=COC(/C=C\C(=C)CCCN1CCCC1)=C(/C)Cl.
What is the InChIKey of 1-[(5Z,7Z)-8-chloro-7-ethenoxy-4-methylidenenona-5,7-dienyl]pyrrolidine?
The InChIKey is RWBSEGYKJOIRAG-GJWNNSPJSA-N. The full InChI is InChI=1S/C16H24ClNO/c1-4-19-16(15(3)17)10-9-14(2)8-7-13-18-11-5-6-12-18/h4,9-10H,1-2,5-8,11-13H2,3H3/b10-9-,16-15-.
What are the key properties of 1-[(5Z,7Z)-8-chloro-7-ethenoxy-4-methylidenenona-5,7-dienyl]pyrrolidine?
1-[(5Z,7Z)-8-chloro-7-ethenoxy-4-methylidenenona-5,7-dienyl]pyrrolidine has a molecular weight of 281.83 g/mol, XLogP of 4.61, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5Z,7Z)-8-chloro-7-ethenoxy-4-methylidenenona-5,7-dienyl]pyrrolidine is sourced from PubChem (CID 134288514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).