N-[(E)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]formamide

C6H10N2O2 — CID 55286265

IUPACN-[(E)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]formamide
SMILESCN(C)/C=C(\C=O)NC=O
InChIInChI=1S/C6H10N2O2/c1-8(2)3-6(4-9)7-5-10/h3-5H,1-2H3,(H,7,10)/b6-3+
InChIKeyQRNMFAHALYSRHY-ZZXKWVIFSA-N
MW142.16 g/mol
LogP-0.67
Rot. Bonds4

About N-[(E)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]formamide

N-[(E)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]formamide (PubChem CID 55286265) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is N-[(E)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]formamide.

Molecular Properties

Compound NameN-[(E)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]formamide
PubChem CID55286265
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC NameN-[(E)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]formamide
SMILESCN(C)/C=C(\C=O)NC=O
InChIInChI=1S/C6H10N2O2/c1-8(2)3-6(4-9)7-5-10/h3-5H,1-2H3,(H,7,10)/b6-3+
InChIKeyQRNMFAHALYSRHY-ZZXKWVIFSA-N
XLogP-0.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]formamide?
The IUPAC name of N-[(E)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]formamide (CID 55286265) is N-[(E)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]formamide.
What is the SMILES notation for N-[(E)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]formamide?
The canonical SMILES for N-[(E)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]formamide is CN(C)/C=C(\C=O)NC=O.
What is the InChIKey of N-[(E)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]formamide?
The InChIKey is QRNMFAHALYSRHY-ZZXKWVIFSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-8(2)3-6(4-9)7-5-10/h3-5H,1-2H3,(H,7,10)/b6-3+.
What are the key properties of N-[(E)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]formamide?
N-[(E)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]formamide has a molecular weight of 142.16 g/mol, XLogP of -0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(dimethylamino)-3-oxoprop-1-en-2-yl]formamide is sourced from PubChem (CID 55286265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).