1-[3-[(3Z,5Z)-3-methyl-2-methylidenenona-3,5-dienyl]azetidin-1-yl]ethanone

C16H25NO — CID 176942105

IUPAC1-[3-[(3Z,5Z)-3-methyl-2-methylidenenona-3,5-dienyl]azetidin-1-yl]ethanone
SMILESC=C(CC1CN(C(C)=O)C1)/C(C)=C\C=C/CCC
InChIInChI=1S/C16H25NO/c1-5-6-7-8-9-13(2)14(3)10-16-11-17(12-16)15(4)18/h7-9,16H,3,5-6,10-12H2,1-2,4H3/b8-7-,13-9-
InChIKeyYTUXVBAHTMVVMS-VBKTUFRMSA-N
MW247.38 g/mol
LogP3.71
Rot. Bonds6

About 1-[3-[(3Z,5Z)-3-methyl-2-methylidenenona-3,5-dienyl]azetidin-1-yl]ethanone

1-[3-[(3Z,5Z)-3-methyl-2-methylidenenona-3,5-dienyl]azetidin-1-yl]ethanone (PubChem CID 176942105) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[3-[(3Z,5Z)-3-methyl-2-methylidenenona-3,5-dienyl]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(3Z,5Z)-3-methyl-2-methylidenenona-3,5-dienyl]azetidin-1-yl]ethanone
PubChem CID176942105
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[3-[(3Z,5Z)-3-methyl-2-methylidenenona-3,5-dienyl]azetidin-1-yl]ethanone
SMILESC=C(CC1CN(C(C)=O)C1)/C(C)=C\C=C/CCC
InChIInChI=1S/C16H25NO/c1-5-6-7-8-9-13(2)14(3)10-16-11-17(12-16)15(4)18/h7-9,16H,3,5-6,10-12H2,1-2,4H3/b8-7-,13-9-
InChIKeyYTUXVBAHTMVVMS-VBKTUFRMSA-N
XLogP3.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 1-[3-[(3Z,5Z)-3-methyl-2-methylidenenona-3,5-dienyl]azetidin-1-yl]ethanone with MolForge

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Related Compounds

3-methylnona-3,5-dien-2-one
CID 173004598
(3Z,5E)-3-methylnona-1,3,5-trien-2-ol
CID 142863796
3-methyl-2-methylidenenona-3,5-dienenitrile
CID 123694554
[(3Z,5Z)-3-methylnona-1,3,5-trien-2-yl]oxycyclopentane
CID 176941862
ethane;(2E,4Z)-2-methyl-1-[2-methyl-4-(2-methylpropanoyl)piperazin-1-yl]octa-2,4-dien-1-one
CID 163264423
2-methyldeca-2,4,6-trienoic acid
CID 54490128
1-[3-(2-methylpropyl)azetidin-1-yl]ethanone
CID 130318512
1-[3-(fluoromethyl)azetidin-1-yl]ethanone
CID 121188787
3-methylnona-1,3,5-triene
CID 154088357
(3E)-nona-3,5-dien-2-one
CID 131243861
(E)-hex-2-enal
CID 158800846
(3R,4R)-1-acetyl-N-[(4E,6E)-7-chloroocta-4,6-dienyl]-4-methylpyrrolidine-3-carboxamide
CID 178170644

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3Z,5Z)-3-methyl-2-methylidenenona-3,5-dienyl]azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-[(3Z,5Z)-3-methyl-2-methylidenenona-3,5-dienyl]azetidin-1-yl]ethanone (CID 176942105) is 1-[3-[(3Z,5Z)-3-methyl-2-methylidenenona-3,5-dienyl]azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[(3Z,5Z)-3-methyl-2-methylidenenona-3,5-dienyl]azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[(3Z,5Z)-3-methyl-2-methylidenenona-3,5-dienyl]azetidin-1-yl]ethanone is C=C(CC1CN(C(C)=O)C1)/C(C)=C\C=C/CCC.
What is the InChIKey of 1-[3-[(3Z,5Z)-3-methyl-2-methylidenenona-3,5-dienyl]azetidin-1-yl]ethanone?
The InChIKey is YTUXVBAHTMVVMS-VBKTUFRMSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-6-7-8-9-13(2)14(3)10-16-11-17(12-16)15(4)18/h7-9,16H,3,5-6,10-12H2,1-2,4H3/b8-7-,13-9-.
What are the key properties of 1-[3-[(3Z,5Z)-3-methyl-2-methylidenenona-3,5-dienyl]azetidin-1-yl]ethanone?
1-[3-[(3Z,5Z)-3-methyl-2-methylidenenona-3,5-dienyl]azetidin-1-yl]ethanone has a molecular weight of 247.38 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3Z,5Z)-3-methyl-2-methylidenenona-3,5-dienyl]azetidin-1-yl]ethanone is sourced from PubChem (CID 176942105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).