2-(azetidin-3-ylidene)-N-[3-(methylamino)-3-oxopropyl]propanamide

C10H17N3O2 — CID 116677546

IUPAC2-(azetidin-3-ylidene)-N-[3-(methylamino)-3-oxopropyl]propanamide
SMILESCNC(=O)CCNC(=O)C(C)=C1CNC1
InChIInChI=1S/C10H17N3O2/c1-7(8-5-12-6-8)10(15)13-4-3-9(14)11-2/h12H,3-6H2,1-2H3,(H,11,14)(H,13,15)
InChIKeyOQDHEHGKHHSOAS-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.84
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-[3-(methylamino)-3-oxopropyl]propanamide

2-(azetidin-3-ylidene)-N-[3-(methylamino)-3-oxopropyl]propanamide (PubChem CID 116677546) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-[3-(methylamino)-3-oxopropyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-[3-(methylamino)-3-oxopropyl]propanamide
PubChem CID116677546
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-(azetidin-3-ylidene)-N-[3-(methylamino)-3-oxopropyl]propanamide
SMILESCNC(=O)CCNC(=O)C(C)=C1CNC1
InChIInChI=1S/C10H17N3O2/c1-7(8-5-12-6-8)10(15)13-4-3-9(14)11-2/h12H,3-6H2,1-2H3,(H,11,14)(H,13,15)
InChIKeyOQDHEHGKHHSOAS-UHFFFAOYSA-N
XLogP-0.84
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(azetidin-3-ylidene)-N-[3-(ethylamino)-3-oxopropyl]propanamide
CID 116678900
2-(azetidin-3-ylidene)-N-(2-cyanoethyl)propanamide
CID 116674760
2-(azetidin-3-ylidene)-N-[2-(diethylamino)ethyl]propanamide
CID 116674274
2-(azetidin-3-ylidene)-N-(4,4,4-trifluorobutyl)propanamide
CID 116678663
2-(azetidin-3-ylidene)-N-prop-2-ynylpropanamide
CID 116674617
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-(azetidin-3-ylidene)propanamide
CID 106236627
2-(azetidin-3-ylidene)-N-(2-ethylbutyl)propanamide
CID 116679121
2-(azetidin-3-ylidene)-N-[2-(3-methylbutoxy)ethyl]propanamide
CID 116677558
2-[2-[2-(azetidin-3-ylidene)propanoylamino]ethyl]benzoic acid
CID 116678028
N-methyl-N'-[3-(methylamino)-3-oxopropyl]butanediamide
CID 10680195
2-(azetidin-3-ylidene)-N-(2-hydroxy-4-methylpentyl)propanamide
CID 107152926
2-(azetidin-3-ylidene)-N-(3-ethylpentan-3-yl)propanamide
CID 116678158

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-[3-(methylamino)-3-oxopropyl]propanamide?
The IUPAC name of 2-(azetidin-3-ylidene)-N-[3-(methylamino)-3-oxopropyl]propanamide (CID 116677546) is 2-(azetidin-3-ylidene)-N-[3-(methylamino)-3-oxopropyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-[3-(methylamino)-3-oxopropyl]propanamide?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-[3-(methylamino)-3-oxopropyl]propanamide is CNC(=O)CCNC(=O)C(C)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-[3-(methylamino)-3-oxopropyl]propanamide?
The InChIKey is OQDHEHGKHHSOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(8-5-12-6-8)10(15)13-4-3-9(14)11-2/h12H,3-6H2,1-2H3,(H,11,14)(H,13,15).
What are the key properties of 2-(azetidin-3-ylidene)-N-[3-(methylamino)-3-oxopropyl]propanamide?
2-(azetidin-3-ylidene)-N-[3-(methylamino)-3-oxopropyl]propanamide has a molecular weight of 211.26 g/mol, XLogP of -0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-[3-(methylamino)-3-oxopropyl]propanamide is sourced from PubChem (CID 116677546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).