N-(3-propan-2-yloxyazetidin-1-yl)formamide

C7H14N2O2 — CID 174913663

IUPACN-(3-propan-2-yloxyazetidin-1-yl)formamide
SMILESCC(C)OC1CN(NC=O)C1
InChIInChI=1S/C7H14N2O2/c1-6(2)11-7-3-9(4-7)8-5-10/h5-7H,3-4H2,1-2H3,(H,8,10)
InChIKeyJYRQQNXWJBNRLN-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.24
Rot. Bonds4

About N-(3-propan-2-yloxyazetidin-1-yl)formamide

N-(3-propan-2-yloxyazetidin-1-yl)formamide (PubChem CID 174913663) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is N-(3-propan-2-yloxyazetidin-1-yl)formamide.

Molecular Properties

Compound NameN-(3-propan-2-yloxyazetidin-1-yl)formamide
PubChem CID174913663
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC NameN-(3-propan-2-yloxyazetidin-1-yl)formamide
SMILESCC(C)OC1CN(NC=O)C1
InChIInChI=1S/C7H14N2O2/c1-6(2)11-7-3-9(4-7)8-5-10/h5-7H,3-4H2,1-2H3,(H,8,10)
InChIKeyJYRQQNXWJBNRLN-UHFFFAOYSA-N
XLogP-0.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-propan-2-yloxyazetidin-1-yl)formamide?
The IUPAC name of N-(3-propan-2-yloxyazetidin-1-yl)formamide (CID 174913663) is N-(3-propan-2-yloxyazetidin-1-yl)formamide.
What is the SMILES notation for N-(3-propan-2-yloxyazetidin-1-yl)formamide?
The canonical SMILES for N-(3-propan-2-yloxyazetidin-1-yl)formamide is CC(C)OC1CN(NC=O)C1.
What is the InChIKey of N-(3-propan-2-yloxyazetidin-1-yl)formamide?
The InChIKey is JYRQQNXWJBNRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-6(2)11-7-3-9(4-7)8-5-10/h5-7H,3-4H2,1-2H3,(H,8,10).
What are the key properties of N-(3-propan-2-yloxyazetidin-1-yl)formamide?
N-(3-propan-2-yloxyazetidin-1-yl)formamide has a molecular weight of 158.20 g/mol, XLogP of -0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yloxyazetidin-1-yl)formamide is sourced from PubChem (CID 174913663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).