N-(azetidin-3-yl)-2-(2-methylpropylideneamino)acetamide

C9H17N3O — CID 166078669

IUPACN-(azetidin-3-yl)-2-(2-methylpropylideneamino)acetamide
SMILESCC(C)/C=N/CC(=O)NC1CNC1
InChIInChI=1S/C9H17N3O/c1-7(2)3-10-6-9(13)12-8-4-11-5-8/h3,7-8,11H,4-6H2,1-2H3,(H,12,13)/b10-3+
InChIKeySKGJBPIBCRBTRD-XCVCLJGOSA-N
MW183.25 g/mol
LogP-0.20
Rot. Bonds4

About N-(azetidin-3-yl)-2-(2-methylpropylideneamino)acetamide

N-(azetidin-3-yl)-2-(2-methylpropylideneamino)acetamide (PubChem CID 166078669) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2-(2-methylpropylideneamino)acetamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2-(2-methylpropylideneamino)acetamide
PubChem CID166078669
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN-(azetidin-3-yl)-2-(2-methylpropylideneamino)acetamide
SMILESCC(C)/C=N/CC(=O)NC1CNC1
InChIInChI=1S/C9H17N3O/c1-7(2)3-10-6-9(13)12-8-4-11-5-8/h3,7-8,11H,4-6H2,1-2H3,(H,12,13)/b10-3+
InChIKeySKGJBPIBCRBTRD-XCVCLJGOSA-N
XLogP-0.20
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6,7-Dimethyl-1,3,6,7-tetrahydro-1,4-diazepin-2-one
CID 23559737
5-methyl-2-propan-2-yl-2,5-dihydro-1H-pyrazin-6-one
CID 90702382
(2S)-N-ethyl-2-(2-methylpropylideneamino)propanamide
CID 166078712

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2-(2-methylpropylideneamino)acetamide?
The IUPAC name of N-(azetidin-3-yl)-2-(2-methylpropylideneamino)acetamide (CID 166078669) is N-(azetidin-3-yl)-2-(2-methylpropylideneamino)acetamide.
What is the SMILES notation for N-(azetidin-3-yl)-2-(2-methylpropylideneamino)acetamide?
The canonical SMILES for N-(azetidin-3-yl)-2-(2-methylpropylideneamino)acetamide is CC(C)/C=N/CC(=O)NC1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-2-(2-methylpropylideneamino)acetamide?
The InChIKey is SKGJBPIBCRBTRD-XCVCLJGOSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7(2)3-10-6-9(13)12-8-4-11-5-8/h3,7-8,11H,4-6H2,1-2H3,(H,12,13)/b10-3+.
What are the key properties of N-(azetidin-3-yl)-2-(2-methylpropylideneamino)acetamide?
N-(azetidin-3-yl)-2-(2-methylpropylideneamino)acetamide has a molecular weight of 183.25 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2-(2-methylpropylideneamino)acetamide is sourced from PubChem (CID 166078669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).