2-nitroso-4-prop-1-enylbenzaldehyde

C10H9NO2 — CID 123363024

IUPAC2-nitroso-4-prop-1-enylbenzaldehyde
SMILESCC=Cc1ccc(C=O)c(N=O)c1
InChIInChI=1S/C10H9NO2/c1-2-3-8-4-5-9(7-12)10(6-8)11-13/h2-7H,1H3
InChIKeyUBBTVYCTSZBMGT-UHFFFAOYSA-N
MW175.19 g/mol
LogP2.93
Rot. Bonds3

About 2-nitroso-4-prop-1-enylbenzaldehyde

2-nitroso-4-prop-1-enylbenzaldehyde (PubChem CID 123363024) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 2-nitroso-4-prop-1-enylbenzaldehyde.

Molecular Properties

Compound Name2-nitroso-4-prop-1-enylbenzaldehyde
PubChem CID123363024
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name2-nitroso-4-prop-1-enylbenzaldehyde
SMILESCC=Cc1ccc(C=O)c(N=O)c1
InChIInChI=1S/C10H9NO2/c1-2-3-8-4-5-9(7-12)10(6-8)11-13/h2-7H,1H3
InChIKeyUBBTVYCTSZBMGT-UHFFFAOYSA-N
XLogP2.93
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

sodium;4-hydroxy-2-nitrosobenzaldehyde;bis(4-hydroxy-3-nitrosobenzaldehyde);iron
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4-formyl-3-nitrosobenzamide
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2-nitroso-4-phenylbenzaldehyde
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1-methyl-4-[(E)-prop-1-enyl]-2-[(Z)-prop-1-enyl]benzene
CID 143856242
2-nitroso-5-[(E)-pent-3-en-2-yl]benzaldehyde
CID 177409217
[2-formyl-4-[(E)-prop-1-enyl]phenyl] trifluoromethanesulfonate
CID 166974078
5-(dimethylamino)-2-nitrosobenzaldehyde
CID 5235856
2-prop-1-enoxy-1,4-bis(prop-1-enyl)benzene
CID 178073820
6-nitrosoquinoline-7-carbaldehyde
CID 142887262
2-methyl-4-(4-oxobut-1-enyl)benzaldehyde
CID 170481780
1-[4-ethenyl-3-[(Z)-prop-1-enyl]phenyl]ethanone
CID 143306088

Frequently Asked Questions

What is the IUPAC name of 2-nitroso-4-prop-1-enylbenzaldehyde?
The IUPAC name of 2-nitroso-4-prop-1-enylbenzaldehyde (CID 123363024) is 2-nitroso-4-prop-1-enylbenzaldehyde.
What is the SMILES notation for 2-nitroso-4-prop-1-enylbenzaldehyde?
The canonical SMILES for 2-nitroso-4-prop-1-enylbenzaldehyde is CC=Cc1ccc(C=O)c(N=O)c1.
What is the InChIKey of 2-nitroso-4-prop-1-enylbenzaldehyde?
The InChIKey is UBBTVYCTSZBMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-2-3-8-4-5-9(7-12)10(6-8)11-13/h2-7H,1H3.
What are the key properties of 2-nitroso-4-prop-1-enylbenzaldehyde?
2-nitroso-4-prop-1-enylbenzaldehyde has a molecular weight of 175.19 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitroso-4-prop-1-enylbenzaldehyde is sourced from PubChem (CID 123363024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).