1-(2-nona-1,3-dienylcyclopropyl)prop-2-en-1-one

C15H22O — CID 57076545

IUPAC1-(2-nona-1,3-dienylcyclopropyl)prop-2-en-1-one
SMILESC=CC(=O)C1CC1C=CC=CCCCCC
InChIInChI=1S/C15H22O/c1-3-5-6-7-8-9-10-11-13-12-14(13)15(16)4-2/h4,8-11,13-14H,2-3,5-7,12H2,1H3
InChIKeyDIWHDMDGUGJSDR-UHFFFAOYSA-N
MW218.34 g/mol
LogP4.07
Rot. Bonds8

About 1-(2-nona-1,3-dienylcyclopropyl)prop-2-en-1-one

1-(2-nona-1,3-dienylcyclopropyl)prop-2-en-1-one (PubChem CID 57076545) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1-(2-nona-1,3-dienylcyclopropyl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(2-nona-1,3-dienylcyclopropyl)prop-2-en-1-one
PubChem CID57076545
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1-(2-nona-1,3-dienylcyclopropyl)prop-2-en-1-one
SMILESC=CC(=O)C1CC1C=CC=CCCCCC
InChIInChI=1S/C15H22O/c1-3-5-6-7-8-9-10-11-13-12-14(13)15(16)4-2/h4,8-11,13-14H,2-3,5-7,12H2,1H3
InChIKeyDIWHDMDGUGJSDR-UHFFFAOYSA-N
XLogP4.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(1S)-2-[(Z)-hept-1-enyl]cyclopropane-1-carboxylic acid
CID 143897565
2-non-1-enylcyclopropane-1-carboxylic acid
CID 57032997
(4E,6E,8E,10E)-octadeca-1,4,6,8,10-pentaen-3-one
CID 20847728
(3E,5E,7E)-trideca-3,5,7-trien-2-one
CID 118922947
(2Z)-docosa-2,4,6,8,10,12-hexaenoyl chloride
CID 90343148
octadeca-1,3,5,7,9,11-hexaene
CID 90906281
tricosa-1,3,5,7-tetraene
CID 90704431
(3E,5E,7E,9E,11E,13E)-tricosa-1,3,5,7,9,11,13-heptaene
CID 173020960
hecta-1,3,5,7,9,11,13,15,17,19-decaene
CID 173395996
(3E,5E,7E,9E,11E,13E,15E)-triaconta-1,3,5,7,9,11,13,15-octaene
CID 173021038
hexacosa-1,3,5,7,9,11,13,15,17-nonaene
CID 91421045
henicosa-1,3,5,7,9,11,13-heptaene
CID 90898845

Frequently Asked Questions

What is the IUPAC name of 1-(2-nona-1,3-dienylcyclopropyl)prop-2-en-1-one?
The IUPAC name of 1-(2-nona-1,3-dienylcyclopropyl)prop-2-en-1-one (CID 57076545) is 1-(2-nona-1,3-dienylcyclopropyl)prop-2-en-1-one.
What is the SMILES notation for 1-(2-nona-1,3-dienylcyclopropyl)prop-2-en-1-one?
The canonical SMILES for 1-(2-nona-1,3-dienylcyclopropyl)prop-2-en-1-one is C=CC(=O)C1CC1C=CC=CCCCCC.
What is the InChIKey of 1-(2-nona-1,3-dienylcyclopropyl)prop-2-en-1-one?
The InChIKey is DIWHDMDGUGJSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-3-5-6-7-8-9-10-11-13-12-14(13)15(16)4-2/h4,8-11,13-14H,2-3,5-7,12H2,1H3.
What are the key properties of 1-(2-nona-1,3-dienylcyclopropyl)prop-2-en-1-one?
1-(2-nona-1,3-dienylcyclopropyl)prop-2-en-1-one has a molecular weight of 218.34 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nona-1,3-dienylcyclopropyl)prop-2-en-1-one is sourced from PubChem (CID 57076545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).