N-propan-2-ylprop-2-enamide

C6H11NO — CID 16637

IUPACN-propan-2-ylprop-2-enamide
SMILESC=CC(=O)NC(C)C
InChIInChI=1S/C6H11NO/c1-4-6(8)7-5(2)3/h4-5H,1H2,2-3H3,(H,7,8)
InChIKeyQNILTEGFHQSKFF-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.70
Rot. Bonds2

About N-propan-2-ylprop-2-enamide

N-propan-2-ylprop-2-enamide (PubChem CID 16637) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound NameN-propan-2-ylprop-2-enamide
PubChem CID16637
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC NameN-propan-2-ylprop-2-enamide
SMILESC=CC(=O)NC(C)C
InChIInChI=1S/C6H11NO/c1-4-6(8)7-5(2)3/h4-5H,1H2,2-3H3,(H,7,8)
InChIKeyQNILTEGFHQSKFF-UHFFFAOYSA-N
XLogP0.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Methylacrylamide
CID 14471
N-Allylacetamide
CID 69653
N-[2-(Dimethylamino)ethyl]acrylamide
CID 70218
Allylacrylamide
CID 95149
n-Butyl-2-propenamide
CID 642908
N-(n-Propyl) acrylamide
CID 114794
N-Ethyl acrylamide
CID 9793705
Poly(N-isopropylacrylamide-N-tert-butylacrylamide)copolymer
CID 3080965
n-Isobutylacrylamide
CID 17786289
N-(2-aminoethyl)acrylamide
CID 152664
n-s-Butylacrylamide
CID 10171451
n-(3-Aminopropyl)acrylamide
CID 11857538

Frequently Asked Questions

What is the IUPAC name of N-propan-2-ylprop-2-enamide?
The IUPAC name of N-propan-2-ylprop-2-enamide (CID 16637) is N-propan-2-ylprop-2-enamide.
What is the SMILES notation for N-propan-2-ylprop-2-enamide?
The canonical SMILES for N-propan-2-ylprop-2-enamide is C=CC(=O)NC(C)C.
What is the InChIKey of N-propan-2-ylprop-2-enamide?
The InChIKey is QNILTEGFHQSKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-4-6(8)7-5(2)3/h4-5H,1H2,2-3H3,(H,7,8).
What are the key properties of N-propan-2-ylprop-2-enamide?
N-propan-2-ylprop-2-enamide has a molecular weight of 113.16 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 16637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).