1-methyl-3-nitrosocyclobutane

C5H9NO — CID 90685254

IUPAC1-methyl-3-nitrosocyclobutane
SMILESCC1CC(N=O)C1
InChIInChI=1S/C5H9NO/c1-4-2-5(3-4)6-7/h4-5H,2-3H2,1H3
InChIKeyVFQUKLHERSCGKL-UHFFFAOYSA-N
MW99.13 g/mol
LogP1.55
Rot. Bonds1

About 1-methyl-3-nitrosocyclobutane

1-methyl-3-nitrosocyclobutane (PubChem CID 90685254) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 1-methyl-3-nitrosocyclobutane.

Molecular Properties

Compound Name1-methyl-3-nitrosocyclobutane
PubChem CID90685254
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name1-methyl-3-nitrosocyclobutane
SMILESCC1CC(N=O)C1
InChIInChI=1S/C5H9NO/c1-4-2-5(3-4)6-7/h4-5H,2-3H2,1H3
InChIKeyVFQUKLHERSCGKL-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5R)-3-methyl-7-nitrosobicyclo[3.3.1]nonane
CID 123586530
(2R,4S,6R)-2,4-dimethyl-6-nitrosooxane;ethane
CID 143101250
ethane;3-methylbicyclo[3.1.0]hexane
CID 143195876
(4-nitrosopyrrolidin-2-yl)phosphane
CID 122634528
3-nitrosothietane
CID 90777792
nitrosocyclopentadecane
CID 89341033
4-methyl-2-nitrosopiperidine
CID 91506652
ethane;methylcyclopropane
CID 158329065
methane;1,2,4-trimethylcyclopentane
CID 157268000
7-methyltricyclo[3.3.0.02,4]octane
CID 154523020
formonitrile;1,3,5-trimethylcyclohexane
CID 174384733
3,7-dimethylbicyclo[3.3.1]nonan-9-one
CID 101110552

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-nitrosocyclobutane?
The IUPAC name of 1-methyl-3-nitrosocyclobutane (CID 90685254) is 1-methyl-3-nitrosocyclobutane.
What is the SMILES notation for 1-methyl-3-nitrosocyclobutane?
The canonical SMILES for 1-methyl-3-nitrosocyclobutane is CC1CC(N=O)C1.
What is the InChIKey of 1-methyl-3-nitrosocyclobutane?
The InChIKey is VFQUKLHERSCGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-4-2-5(3-4)6-7/h4-5H,2-3H2,1H3.
What are the key properties of 1-methyl-3-nitrosocyclobutane?
1-methyl-3-nitrosocyclobutane has a molecular weight of 99.13 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-nitrosocyclobutane is sourced from PubChem (CID 90685254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).