1-(1-nitrosoethenyl)-4-prop-1-en-2-ylbenzene

C11H11NO — CID 166919662

IUPAC1-(1-nitrosoethenyl)-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(C(=C)N=O)cc1
InChIInChI=1S/C11H11NO/c1-8(2)10-4-6-11(7-5-10)9(3)12-13/h4-7H,1,3H2,2H3
InChIKeyJFSPWTLQEFTMEJ-UHFFFAOYSA-N
MW173.21 g/mol
LogP3.46
Rot. Bonds3

About 1-(1-nitrosoethenyl)-4-prop-1-en-2-ylbenzene

1-(1-nitrosoethenyl)-4-prop-1-en-2-ylbenzene (PubChem CID 166919662) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 1-(1-nitrosoethenyl)-4-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-(1-nitrosoethenyl)-4-prop-1-en-2-ylbenzene
PubChem CID166919662
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name1-(1-nitrosoethenyl)-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(C(=C)N=O)cc1
InChIInChI=1S/C11H11NO/c1-8(2)10-4-6-11(7-5-10)9(3)12-13/h4-7H,1,3H2,2H3
InChIKeyJFSPWTLQEFTMEJ-UHFFFAOYSA-N
XLogP3.46
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-(4-prop-1-en-2-ylphenyl)benzene
CID 20594776
CID 88815363
CID 88815363
2,2,2-trifluoro-1-(4-prop-1-en-2-ylphenyl)ethanone
CID 45081112
benzene-1,4-diol;1,4-bis(prop-1-en-2-yl)benzene;bis(2-methylprop-2-enoic acid)
CID 67862171
sodium 4-prop-1-en-2-ylbenzenesulfonate
CID 23696519
prop-1-en-2-ylbenzene;silane
CID 174724970
ethane;tris(prop-1-en-2-ylbenzene)
CID 161299444
3-(4-prop-1-en-2-ylphenyl)but-2-en-2-ylsilane
CID 173396916
cyclobutane;ethane;1-methyl-4-prop-1-en-2-ylbenzene
CID 177043562
2-[(2-nitroso-2-oxoethyl)-[(4-prop-1-en-2-ylphenyl)methyl]amino]acetic acid
CID 89351390
(4-prop-1-en-2-ylphenyl) formate
CID 89249503
methylimino(oxo)methane;prop-1-en-2-ylbenzene
CID 157367451

Frequently Asked Questions

What is the IUPAC name of 1-(1-nitrosoethenyl)-4-prop-1-en-2-ylbenzene?
The IUPAC name of 1-(1-nitrosoethenyl)-4-prop-1-en-2-ylbenzene (CID 166919662) is 1-(1-nitrosoethenyl)-4-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-(1-nitrosoethenyl)-4-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-(1-nitrosoethenyl)-4-prop-1-en-2-ylbenzene is C=C(C)c1ccc(C(=C)N=O)cc1.
What is the InChIKey of 1-(1-nitrosoethenyl)-4-prop-1-en-2-ylbenzene?
The InChIKey is JFSPWTLQEFTMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-8(2)10-4-6-11(7-5-10)9(3)12-13/h4-7H,1,3H2,2H3.
What are the key properties of 1-(1-nitrosoethenyl)-4-prop-1-en-2-ylbenzene?
1-(1-nitrosoethenyl)-4-prop-1-en-2-ylbenzene has a molecular weight of 173.21 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-nitrosoethenyl)-4-prop-1-en-2-ylbenzene is sourced from PubChem (CID 166919662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).