N-[2-methyl-2-(prop-2-enoylamino)propyl]prop-2-enamide

C10H16N2O2 — CID 20696244

IUPACN-[2-methyl-2-(prop-2-enoylamino)propyl]prop-2-enamide
SMILESC=CC(=O)NCC(C)(C)NC(=O)C=C
InChIInChI=1S/C10H16N2O2/c1-5-8(13)11-7-10(3,4)12-9(14)6-2/h5-6H,1-2,7H2,3-4H3,(H,11,13)(H,12,14)
InChIKeyYTMJJBYCQDTILJ-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.37
Rot. Bonds5

About N-[2-methyl-2-(prop-2-enoylamino)propyl]prop-2-enamide

N-[2-methyl-2-(prop-2-enoylamino)propyl]prop-2-enamide (PubChem CID 20696244) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-[2-methyl-2-(prop-2-enoylamino)propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-methyl-2-(prop-2-enoylamino)propyl]prop-2-enamide
PubChem CID20696244
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC NameN-[2-methyl-2-(prop-2-enoylamino)propyl]prop-2-enamide
SMILESC=CC(=O)NCC(C)(C)NC(=O)C=C
InChIInChI=1S/C10H16N2O2/c1-5-8(13)11-7-10(3,4)12-9(14)6-2/h5-6H,1-2,7H2,3-4H3,(H,11,13)(H,12,14)
InChIKeyYTMJJBYCQDTILJ-UHFFFAOYSA-N
XLogP0.37
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-methyl-2-(prop-2-enoylamino)propyl]prop-2-enamide?
The IUPAC name of N-[2-methyl-2-(prop-2-enoylamino)propyl]prop-2-enamide (CID 20696244) is N-[2-methyl-2-(prop-2-enoylamino)propyl]prop-2-enamide.
What is the SMILES notation for N-[2-methyl-2-(prop-2-enoylamino)propyl]prop-2-enamide?
The canonical SMILES for N-[2-methyl-2-(prop-2-enoylamino)propyl]prop-2-enamide is C=CC(=O)NCC(C)(C)NC(=O)C=C.
What is the InChIKey of N-[2-methyl-2-(prop-2-enoylamino)propyl]prop-2-enamide?
The InChIKey is YTMJJBYCQDTILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-5-8(13)11-7-10(3,4)12-9(14)6-2/h5-6H,1-2,7H2,3-4H3,(H,11,13)(H,12,14).
What are the key properties of N-[2-methyl-2-(prop-2-enoylamino)propyl]prop-2-enamide?
N-[2-methyl-2-(prop-2-enoylamino)propyl]prop-2-enamide has a molecular weight of 196.25 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(prop-2-enoylamino)propyl]prop-2-enamide is sourced from PubChem (CID 20696244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).