[(5Z,6Z,8E)-5-ethylidene-8-nitrosodeca-1,6,8-trien-3-yl]cyclopropane

C15H21NO — CID 142842980

IUPAC[(5Z,6Z,8E)-5-ethylidene-8-nitrosodeca-1,6,8-trien-3-yl]cyclopropane
SMILESC=CC(CC(/C=C\C(=C/C)N=O)=C/C)C1CC1
InChIInChI=1S/C15H21NO/c1-4-12(7-10-15(6-3)16-17)11-13(5-2)14-8-9-14/h4-7,10,13-14H,2,8-9,11H2,1,3H3/b10-7-,12-4+,15-6+
InChIKeyUFDHOHAEVCPWBK-PWNLLOFVSA-N
MW231.34 g/mol
LogP4.76
Rot. Bonds7

About [(5Z,6Z,8E)-5-ethylidene-8-nitrosodeca-1,6,8-trien-3-yl]cyclopropane

[(5Z,6Z,8E)-5-ethylidene-8-nitrosodeca-1,6,8-trien-3-yl]cyclopropane (PubChem CID 142842980) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is [(5Z,6Z,8E)-5-ethylidene-8-nitrosodeca-1,6,8-trien-3-yl]cyclopropane.

Molecular Properties

Compound Name[(5Z,6Z,8E)-5-ethylidene-8-nitrosodeca-1,6,8-trien-3-yl]cyclopropane
PubChem CID142842980
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name[(5Z,6Z,8E)-5-ethylidene-8-nitrosodeca-1,6,8-trien-3-yl]cyclopropane
SMILESC=CC(CC(/C=C\C(=C/C)N=O)=C/C)C1CC1
InChIInChI=1S/C15H21NO/c1-4-12(7-10-15(6-3)16-17)11-13(5-2)14-8-9-14/h4-7,10,13-14H,2,8-9,11H2,1,3H3/b10-7-,12-4+,15-6+
InChIKeyUFDHOHAEVCPWBK-PWNLLOFVSA-N
XLogP4.76
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(1,4-dioxaspiro[4.5]decan-8-yl)hepta-1,6-dien-3-one
CID 58562831
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CID 143472729
(4Z,5Z)-4-ethylidene-2-methylocta-5,7-dienal
CID 143072769
undeca-1,10-dien-3-ylcyclohexane
CID 54538592
4-cyclopropylpent-1-en-3-amine
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1-(3-methylcyclopentyl)oct-7-en-1-ol
CID 107008594
N-[(1Z,3E)-3-[(4,4-dimethylcyclohexyl)oxymethyl]penta-1,3-dienyl]methanimine;ethane
CID 144881902
(2R,4Z,5Z)-2-amino-4-ethylideneocta-5,7-dienoic acid
CID 146649344
[(2R)-1-bromobut-3-en-2-yl]cyclohexane
CID 102075703
(4Z)-N,2-dioxo-4-[(Z)-prop-1-enyl]hepta-4,6-dienamide;ethane
CID 143265988
3-(1-cyclopropylpent-4-enylamino)butanamide
CID 115867757
2-cyclopropylbutanedial
CID 141171977

Frequently Asked Questions

What is the IUPAC name of [(5Z,6Z,8E)-5-ethylidene-8-nitrosodeca-1,6,8-trien-3-yl]cyclopropane?
The IUPAC name of [(5Z,6Z,8E)-5-ethylidene-8-nitrosodeca-1,6,8-trien-3-yl]cyclopropane (CID 142842980) is [(5Z,6Z,8E)-5-ethylidene-8-nitrosodeca-1,6,8-trien-3-yl]cyclopropane.
What is the SMILES notation for [(5Z,6Z,8E)-5-ethylidene-8-nitrosodeca-1,6,8-trien-3-yl]cyclopropane?
The canonical SMILES for [(5Z,6Z,8E)-5-ethylidene-8-nitrosodeca-1,6,8-trien-3-yl]cyclopropane is C=CC(CC(/C=C\C(=C/C)N=O)=C/C)C1CC1.
What is the InChIKey of [(5Z,6Z,8E)-5-ethylidene-8-nitrosodeca-1,6,8-trien-3-yl]cyclopropane?
The InChIKey is UFDHOHAEVCPWBK-PWNLLOFVSA-N. The full InChI is InChI=1S/C15H21NO/c1-4-12(7-10-15(6-3)16-17)11-13(5-2)14-8-9-14/h4-7,10,13-14H,2,8-9,11H2,1,3H3/b10-7-,12-4+,15-6+.
What are the key properties of [(5Z,6Z,8E)-5-ethylidene-8-nitrosodeca-1,6,8-trien-3-yl]cyclopropane?
[(5Z,6Z,8E)-5-ethylidene-8-nitrosodeca-1,6,8-trien-3-yl]cyclopropane has a molecular weight of 231.34 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5Z,6Z,8E)-5-ethylidene-8-nitrosodeca-1,6,8-trien-3-yl]cyclopropane is sourced from PubChem (CID 142842980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).