N-propan-2-ylprop-2-enamide;prop-2-enamide

C9H16N2O2 — CID 10375130

IUPACN-propan-2-ylprop-2-enamide;prop-2-enamide
SMILESC=CC(=O)NC(C)C.C=CC(N)=O
InChIInChI=1S/C6H11NO.C3H5NO/c1-4-6(8)7-5(2)3;1-2-3(4)5/h4-5H,1H2,2-3H3,(H,7,8);2H,1H2,(H2,4,5)
InChIKeyLNOXANHDNROJOR-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.35
Rot. Bonds3

About N-propan-2-ylprop-2-enamide;prop-2-enamide

N-propan-2-ylprop-2-enamide;prop-2-enamide (PubChem CID 10375130) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-propan-2-ylprop-2-enamide;prop-2-enamide.

Molecular Properties

Compound NameN-propan-2-ylprop-2-enamide;prop-2-enamide
PubChem CID10375130
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-propan-2-ylprop-2-enamide;prop-2-enamide
SMILESC=CC(=O)NC(C)C.C=CC(N)=O
InChIInChI=1S/C6H11NO.C3H5NO/c1-4-6(8)7-5(2)3;1-2-3(4)5/h4-5H,1H2,2-3H3,(H,7,8);2H,1H2,(H2,4,5)
InChIKeyLNOXANHDNROJOR-UHFFFAOYSA-N
XLogP0.35
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.35
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-propan-2-ylprop-2-enamide;prop-2-enamide?
The IUPAC name of N-propan-2-ylprop-2-enamide;prop-2-enamide (CID 10375130) is N-propan-2-ylprop-2-enamide;prop-2-enamide.
What is the SMILES notation for N-propan-2-ylprop-2-enamide;prop-2-enamide?
The canonical SMILES for N-propan-2-ylprop-2-enamide;prop-2-enamide is C=CC(=O)NC(C)C.C=CC(N)=O.
What is the InChIKey of N-propan-2-ylprop-2-enamide;prop-2-enamide?
The InChIKey is LNOXANHDNROJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C3H5NO/c1-4-6(8)7-5(2)3;1-2-3(4)5/h4-5H,1H2,2-3H3,(H,7,8);2H,1H2,(H2,4,5).
What are the key properties of N-propan-2-ylprop-2-enamide;prop-2-enamide?
N-propan-2-ylprop-2-enamide;prop-2-enamide has a molecular weight of 184.24 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylprop-2-enamide;prop-2-enamide is sourced from PubChem (CID 10375130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).