(2-carbamoylhydrazinyl) 2-methylprop-2-enoate

C5H9N3O3 — CID 174983708

IUPAC(2-carbamoylhydrazinyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)ONNC(N)=O
InChIInChI=1S/C5H9N3O3/c1-3(2)4(9)11-8-7-5(6)10/h8H,1H2,2H3,(H3,6,7,10)
InChIKeyNUTYFXMZHBILTH-UHFFFAOYSA-N
MW159.14 g/mol
LogP-0.81
Rot. Bonds3

About (2-carbamoylhydrazinyl) 2-methylprop-2-enoate

(2-carbamoylhydrazinyl) 2-methylprop-2-enoate (PubChem CID 174983708) has the molecular formula C5H9N3O3 and a molecular weight of 159.14 g/mol. Its IUPAC name is (2-carbamoylhydrazinyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-carbamoylhydrazinyl) 2-methylprop-2-enoate
PubChem CID174983708
Molecular FormulaC5H9N3O3
Molecular Weight159.14 g/mol
Exact Mass159.06
IUPAC Name(2-carbamoylhydrazinyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)ONNC(N)=O
InChIInChI=1S/C5H9N3O3/c1-3(2)4(9)11-8-7-5(6)10/h8H,1H2,2H3,(H3,6,7,10)
InChIKeyNUTYFXMZHBILTH-UHFFFAOYSA-N
XLogP-0.81
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-carbamoylhydrazinyl) hydrogen carbonate
CID 87781235
hydroxylamine;methyl 2-methylprop-2-enoate
CID 174509239
methyl carbamate;2-methylprop-2-enoic acid
CID 118388900
(propan-2-ylamino) 2-methylprop-2-enoate
CID 140503807
methyl 2-methylprop-2-enoate;nickel
CID 88732958
methane;bis(methyl 2-methylprop-2-enoate)
CID 159008219
acetamide;2-methoxyprop-1-ene;2-methylprop-1-ene
CID 165093716
methyl 2-methylprop-2-enoate;propan-2-one
CID 18939878
methyl 2-methylprop-2-enoate;phosphane
CID 158704529
methyl 2-methylprop-2-enoate;polane
CID 173074189
4-aminopent-3-en-2-yl 2-methylprop-2-enoate
CID 173363943
2,2,2-trifluoroethyl 2-methylprop-2-enoate
CID 9608

Frequently Asked Questions

What is the IUPAC name of (2-carbamoylhydrazinyl) 2-methylprop-2-enoate?
The IUPAC name of (2-carbamoylhydrazinyl) 2-methylprop-2-enoate (CID 174983708) is (2-carbamoylhydrazinyl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-carbamoylhydrazinyl) 2-methylprop-2-enoate?
The canonical SMILES for (2-carbamoylhydrazinyl) 2-methylprop-2-enoate is C=C(C)C(=O)ONNC(N)=O.
What is the InChIKey of (2-carbamoylhydrazinyl) 2-methylprop-2-enoate?
The InChIKey is NUTYFXMZHBILTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O3/c1-3(2)4(9)11-8-7-5(6)10/h8H,1H2,2H3,(H3,6,7,10).
What are the key properties of (2-carbamoylhydrazinyl) 2-methylprop-2-enoate?
(2-carbamoylhydrazinyl) 2-methylprop-2-enoate has a molecular weight of 159.14 g/mol, XLogP of -0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbamoylhydrazinyl) 2-methylprop-2-enoate is sourced from PubChem (CID 174983708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).