N-(2-amino-2-imidazolidin-2-ylideneethyl)-2-methylprop-2-enamide

C9H16N4O — CID 68828528

IUPACN-(2-amino-2-imidazolidin-2-ylideneethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC(N)=C1NCCN1
InChIInChI=1S/C9H16N4O/c1-6(2)9(14)13-5-7(10)8-11-3-4-12-8/h11-12H,1,3-5,10H2,2H3,(H,13,14)
InChIKeyFXXWQKFHRZVHEQ-UHFFFAOYSA-N
MW196.25 g/mol
LogP-1.00
Rot. Bonds3

About N-(2-amino-2-imidazolidin-2-ylideneethyl)-2-methylprop-2-enamide

N-(2-amino-2-imidazolidin-2-ylideneethyl)-2-methylprop-2-enamide (PubChem CID 68828528) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(2-amino-2-imidazolidin-2-ylideneethyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(2-amino-2-imidazolidin-2-ylideneethyl)-2-methylprop-2-enamide
PubChem CID68828528
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-(2-amino-2-imidazolidin-2-ylideneethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC(N)=C1NCCN1
InChIInChI=1S/C9H16N4O/c1-6(2)9(14)13-5-7(10)8-11-3-4-12-8/h11-12H,1,3-5,10H2,2H3,(H,13,14)
InChIKeyFXXWQKFHRZVHEQ-UHFFFAOYSA-N
XLogP-1.00
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-1.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-imidazolidin-2-ylideneethyl)-2-methylprop-2-enamide?
The IUPAC name of N-(2-amino-2-imidazolidin-2-ylideneethyl)-2-methylprop-2-enamide (CID 68828528) is N-(2-amino-2-imidazolidin-2-ylideneethyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(2-amino-2-imidazolidin-2-ylideneethyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(2-amino-2-imidazolidin-2-ylideneethyl)-2-methylprop-2-enamide is C=C(C)C(=O)NCC(N)=C1NCCN1.
What is the InChIKey of N-(2-amino-2-imidazolidin-2-ylideneethyl)-2-methylprop-2-enamide?
The InChIKey is FXXWQKFHRZVHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6(2)9(14)13-5-7(10)8-11-3-4-12-8/h11-12H,1,3-5,10H2,2H3,(H,13,14).
What are the key properties of N-(2-amino-2-imidazolidin-2-ylideneethyl)-2-methylprop-2-enamide?
N-(2-amino-2-imidazolidin-2-ylideneethyl)-2-methylprop-2-enamide has a molecular weight of 196.25 g/mol, XLogP of -1.00, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-imidazolidin-2-ylideneethyl)-2-methylprop-2-enamide is sourced from PubChem (CID 68828528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).