(2Z,5Z)-7-nitrosoocta-2,5-dien-4-one

C8H11NO2 — CID 123336554

IUPAC(2Z,5Z)-7-nitrosoocta-2,5-dien-4-one
SMILESC/C=C\C(=O)/C=C\C(C)N=O
InChIInChI=1S/C8H11NO2/c1-3-4-8(10)6-5-7(2)9-11/h3-7H,1-2H3/b4-3-,6-5-
InChIKeyRXZFNWRSRAEFMX-OUPQRBNQSA-N
MW153.18 g/mol
LogP1.84
Rot. Bonds4

About (2Z,5Z)-7-nitrosoocta-2,5-dien-4-one

(2Z,5Z)-7-nitrosoocta-2,5-dien-4-one (PubChem CID 123336554) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (2Z,5Z)-7-nitrosoocta-2,5-dien-4-one.

Molecular Properties

Compound Name(2Z,5Z)-7-nitrosoocta-2,5-dien-4-one
PubChem CID123336554
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(2Z,5Z)-7-nitrosoocta-2,5-dien-4-one
SMILESC/C=C\C(=O)/C=C\C(C)N=O
InChIInChI=1S/C8H11NO2/c1-3-4-8(10)6-5-7(2)9-11/h3-7H,1-2H3/b4-3-,6-5-
InChIKeyRXZFNWRSRAEFMX-OUPQRBNQSA-N
XLogP1.84
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hepta-2,5-dien-4-one
CID 54179619
(2E,5E)-7-ethoxyocta-2,5-dien-4-one
CID 10352079
(1E,4E)-1-hydroxy-6-methylhepta-1,4-dien-3-one
CID 171377981
(1Z,4Z)-1-aminohexa-1,4-dien-3-one
CID 143438957
4-oxohepta-2,5-dienoic acid
CID 54093333
methyl(2-nitrosopropylidene)-λ3-iodane
CID 163434613
barium(2+);but-2-enoic acid;hydride
CID 173455030
[(E)-pent-3-en-2-yl] (E)-but-2-enoate
CID 14910863
(E)-N-[1-[[(E)-but-2-enoyl]amino]ethyl]but-2-enamide
CID 134844931
6-methylhept-2-en-4-one
CID 54395514
1-aminoethanol;(E)-but-2-enoic acid
CID 87299473
(E,5R)-5-hydroxy-6-methylhept-2-en-4-one
CID 100976633

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-7-nitrosoocta-2,5-dien-4-one?
The IUPAC name of (2Z,5Z)-7-nitrosoocta-2,5-dien-4-one (CID 123336554) is (2Z,5Z)-7-nitrosoocta-2,5-dien-4-one.
What is the SMILES notation for (2Z,5Z)-7-nitrosoocta-2,5-dien-4-one?
The canonical SMILES for (2Z,5Z)-7-nitrosoocta-2,5-dien-4-one is C/C=C\C(=O)/C=C\C(C)N=O.
What is the InChIKey of (2Z,5Z)-7-nitrosoocta-2,5-dien-4-one?
The InChIKey is RXZFNWRSRAEFMX-OUPQRBNQSA-N. The full InChI is InChI=1S/C8H11NO2/c1-3-4-8(10)6-5-7(2)9-11/h3-7H,1-2H3/b4-3-,6-5-.
What are the key properties of (2Z,5Z)-7-nitrosoocta-2,5-dien-4-one?
(2Z,5Z)-7-nitrosoocta-2,5-dien-4-one has a molecular weight of 153.18 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-7-nitrosoocta-2,5-dien-4-one is sourced from PubChem (CID 123336554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).