2-(methoxyamino)-4-nitrosopent-1-en-3-one

C6H10N2O3 — CID 57063542

IUPAC2-(methoxyamino)-4-nitrosopent-1-en-3-one
SMILESC=C(NOC)C(=O)C(C)N=O
InChIInChI=1S/C6H10N2O3/c1-4(7-10)6(9)5(2)8-11-3/h4,8H,2H2,1,3H3
InChIKeyCKPRWXQCQVWJAO-UHFFFAOYSA-N
MW158.16 g/mol
LogP0.38
Rot. Bonds5

About 2-(methoxyamino)-4-nitrosopent-1-en-3-one

2-(methoxyamino)-4-nitrosopent-1-en-3-one (PubChem CID 57063542) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 2-(methoxyamino)-4-nitrosopent-1-en-3-one.

Molecular Properties

Compound Name2-(methoxyamino)-4-nitrosopent-1-en-3-one
PubChem CID57063542
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name2-(methoxyamino)-4-nitrosopent-1-en-3-one
SMILESC=C(NOC)C(=O)C(C)N=O
InChIInChI=1S/C6H10N2O3/c1-4(7-10)6(9)5(2)8-11-3/h4,8H,2H2,1,3H3
InChIKeyCKPRWXQCQVWJAO-UHFFFAOYSA-N
XLogP0.38
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(methoxyamino)prop-2-enoic acid
CID 56613319
3-nitrosobut-1-en-2-amine
CID 143474262
(2S)-2-amino-N-(3-methoxypropyl)-3-methylbutanamide
CID 22690621
methyl 2-methanidylpropanoate;zinc
CID 170330092
1-O-methyl 3-O-(2-methylprop-2-enyl) 2-hydroxypropanedioate
CID 15370871
2-acetamido-N-[1-(methoxyamino)-1-oxopropan-2-yl]propanamide
CID 20680961
2-methoxycarbonyl-3-methylbut-3-enoic acid
CID 14024770
1-(2-cyanoethyl)-3-methoxyurea
CID 130650869
prop-2-enyl (2S)-3-methyl-2-nitrosobutanoate
CID 166857606
2-(2-methoxypropanoylamino)ethyl 2-methylprop-2-enoate
CID 89184726
methyl 2-amino-3-methylbutanoate chloride
CID 3083912
methyl (2S)-2-(fluoroamino)propanoate
CID 141384142

Frequently Asked Questions

What is the IUPAC name of 2-(methoxyamino)-4-nitrosopent-1-en-3-one?
The IUPAC name of 2-(methoxyamino)-4-nitrosopent-1-en-3-one (CID 57063542) is 2-(methoxyamino)-4-nitrosopent-1-en-3-one.
What is the SMILES notation for 2-(methoxyamino)-4-nitrosopent-1-en-3-one?
The canonical SMILES for 2-(methoxyamino)-4-nitrosopent-1-en-3-one is C=C(NOC)C(=O)C(C)N=O.
What is the InChIKey of 2-(methoxyamino)-4-nitrosopent-1-en-3-one?
The InChIKey is CKPRWXQCQVWJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-4(7-10)6(9)5(2)8-11-3/h4,8H,2H2,1,3H3.
What are the key properties of 2-(methoxyamino)-4-nitrosopent-1-en-3-one?
2-(methoxyamino)-4-nitrosopent-1-en-3-one has a molecular weight of 158.16 g/mol, XLogP of 0.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxyamino)-4-nitrosopent-1-en-3-one is sourced from PubChem (CID 57063542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).