2-methyl-3-nitrosobut-2-ene

C5H9NO — CID 146824322

IUPAC2-methyl-3-nitrosobut-2-ene
SMILESCC(C)=C(C)N=O
InChIInChI=1S/C5H9NO/c1-4(2)5(3)6-7/h1-3H3
InChIKeySCQVFZUBBDNZHW-UHFFFAOYSA-N
MW99.13 g/mol
LogP2.07
Rot. Bonds1

About 2-methyl-3-nitrosobut-2-ene

2-methyl-3-nitrosobut-2-ene (PubChem CID 146824322) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 2-methyl-3-nitrosobut-2-ene.

Molecular Properties

Compound Name2-methyl-3-nitrosobut-2-ene
PubChem CID146824322
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name2-methyl-3-nitrosobut-2-ene
SMILESCC(C)=C(C)N=O
InChIInChI=1S/C5H9NO/c1-4(2)5(3)6-7/h1-3H3
InChIKeySCQVFZUBBDNZHW-UHFFFAOYSA-N
XLogP2.07
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-nitrosobut-2-ene?
The IUPAC name of 2-methyl-3-nitrosobut-2-ene (CID 146824322) is 2-methyl-3-nitrosobut-2-ene.
What is the SMILES notation for 2-methyl-3-nitrosobut-2-ene?
The canonical SMILES for 2-methyl-3-nitrosobut-2-ene is CC(C)=C(C)N=O.
What is the InChIKey of 2-methyl-3-nitrosobut-2-ene?
The InChIKey is SCQVFZUBBDNZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-4(2)5(3)6-7/h1-3H3.
What are the key properties of 2-methyl-3-nitrosobut-2-ene?
2-methyl-3-nitrosobut-2-ene has a molecular weight of 99.13 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-nitrosobut-2-ene is sourced from PubChem (CID 146824322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).