N-(3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl)formamide

C8H12N2O2 — CID 145279444

IUPACN-(3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl)formamide
SMILESCC(=O)N1CC2C(C1)C2NC=O
InChIInChI=1S/C8H12N2O2/c1-5(12)10-2-6-7(3-10)8(6)9-4-11/h4,6-8H,2-3H2,1H3,(H,9,11)
InChIKeyABOXPGWNRYAIGR-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.79
Rot. Bonds2

About N-(3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl)formamide

N-(3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl)formamide (PubChem CID 145279444) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is N-(3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl)formamide.

Molecular Properties

Compound NameN-(3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl)formamide
PubChem CID145279444
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC NameN-(3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl)formamide
SMILESCC(=O)N1CC2C(C1)C2NC=O
InChIInChI=1S/C8H12N2O2/c1-5(12)10-2-6-7(3-10)8(6)9-4-11/h4,6-8H,2-3H2,1H3,(H,9,11)
InChIKeyABOXPGWNRYAIGR-UHFFFAOYSA-N
XLogP-0.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl)formamide?
The IUPAC name of N-(3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl)formamide (CID 145279444) is N-(3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl)formamide.
What is the SMILES notation for N-(3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl)formamide?
The canonical SMILES for N-(3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl)formamide is CC(=O)N1CC2C(C1)C2NC=O.
What is the InChIKey of N-(3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl)formamide?
The InChIKey is ABOXPGWNRYAIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-5(12)10-2-6-7(3-10)8(6)9-4-11/h4,6-8H,2-3H2,1H3,(H,9,11).
What are the key properties of N-(3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl)formamide?
N-(3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl)formamide has a molecular weight of 168.20 g/mol, XLogP of -0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl)formamide is sourced from PubChem (CID 145279444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).