1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]pyrrolidine

C14H25NO — CID 118057989

IUPAC1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]pyrrolidine
SMILESC=C(/C=C(\C)OCC)CCCN1CCCC1
InChIInChI=1S/C14H25NO/c1-4-16-14(3)12-13(2)8-7-11-15-9-5-6-10-15/h12H,2,4-11H2,1,3H3/b14-12+
InChIKeySGABNFUZGCUTIQ-WYMLVPIESA-N
MW223.36 g/mol
LogP3.36
Rot. Bonds7

About 1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]pyrrolidine

1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]pyrrolidine (PubChem CID 118057989) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]pyrrolidine.

Molecular Properties

Compound Name1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]pyrrolidine
PubChem CID118057989
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]pyrrolidine
SMILESC=C(/C=C(\C)OCC)CCCN1CCCC1
InChIInChI=1S/C14H25NO/c1-4-16-14(3)12-13(2)8-7-11-15-9-5-6-10-15/h12H,2,4-11H2,1,3H3/b14-12+
InChIKeySGABNFUZGCUTIQ-WYMLVPIESA-N
XLogP3.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.36
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-[(E)-6-ethoxy-4-methylidenehept-5-enyl]piperidine
CID 118058189
1-(6-Ethoxy-4-methylidenehept-5-enyl)pyrrolidine
CID 123449819
N-ethyl-5-methoxy-3-methylidene-N-propylhex-4-en-1-amine
CID 123623340
1-[(5Z,7E)-7-butoxy-4-methylidenenona-5,7-dienyl]pyrrolidine
CID 129295757
1-[(E,6E)-6-(1,4-dioxan-2-ylidene)-4-methylhex-4-enyl]pyrrolidine
CID 132152356
(1E,3E)-4-methyl-1-propan-2-yloxy-7-pyrrolidin-1-ylhepta-1,3-dien-1-amine
CID 134288485
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
1-[(4Z,6E)-4-ethenyl-7-hexoxyocta-4,6-dienyl]pyrrolidine
CID 135225350
(E)-6-methoxy-N,N-dimethyl-3,4-dimethylidenehept-5-en-1-amine
CID 166112226
(E,3Z)-4-[(Z)-but-2-en-2-yl]-N,N-dimethyl-3-propylidenehept-4-en-1-amine;ethane;2-ethoxyprop-1-ene
CID 171520786

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]pyrrolidine?
The IUPAC name of 1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]pyrrolidine (CID 118057989) is 1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]pyrrolidine.
What is the SMILES notation for 1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]pyrrolidine?
The canonical SMILES for 1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]pyrrolidine is C=C(/C=C(\C)OCC)CCCN1CCCC1.
What is the InChIKey of 1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]pyrrolidine?
The InChIKey is SGABNFUZGCUTIQ-WYMLVPIESA-N. The full InChI is InChI=1S/C14H25NO/c1-4-16-14(3)12-13(2)8-7-11-15-9-5-6-10-15/h12H,2,4-11H2,1,3H3/b14-12+.
What are the key properties of 1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]pyrrolidine?
1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]pyrrolidine has a molecular weight of 223.36 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-6-ethoxy-4-methylidenehept-5-enyl]pyrrolidine is sourced from PubChem (CID 118057989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).