N-(1-propan-2-ylazetidin-3-yl)prop-2-enamide

C9H16N2O — CID 131109389

IUPACN-(1-propan-2-ylazetidin-3-yl)prop-2-enamide
SMILESC=CC(=O)NC1CN(C(C)C)C1
InChIInChI=1S/C9H16N2O/c1-4-9(12)10-8-5-11(6-8)7(2)3/h4,7-8H,1,5-6H2,2-3H3,(H,10,12)
InChIKeyIEGAYUWQVLWOKX-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.38
Rot. Bonds3

About N-(1-propan-2-ylazetidin-3-yl)prop-2-enamide

N-(1-propan-2-ylazetidin-3-yl)prop-2-enamide (PubChem CID 131109389) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-(1-propan-2-ylazetidin-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1-propan-2-ylazetidin-3-yl)prop-2-enamide
PubChem CID131109389
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-(1-propan-2-ylazetidin-3-yl)prop-2-enamide
SMILESC=CC(=O)NC1CN(C(C)C)C1
InChIInChI=1S/C9H16N2O/c1-4-9(12)10-8-5-11(6-8)7(2)3/h4,7-8H,1,5-6H2,2-3H3,(H,10,12)
InChIKeyIEGAYUWQVLWOKX-UHFFFAOYSA-N
XLogP0.38
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylazetidin-3-yl)prop-2-enamide?
The IUPAC name of N-(1-propan-2-ylazetidin-3-yl)prop-2-enamide (CID 131109389) is N-(1-propan-2-ylazetidin-3-yl)prop-2-enamide.
What is the SMILES notation for N-(1-propan-2-ylazetidin-3-yl)prop-2-enamide?
The canonical SMILES for N-(1-propan-2-ylazetidin-3-yl)prop-2-enamide is C=CC(=O)NC1CN(C(C)C)C1.
What is the InChIKey of N-(1-propan-2-ylazetidin-3-yl)prop-2-enamide?
The InChIKey is IEGAYUWQVLWOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-4-9(12)10-8-5-11(6-8)7(2)3/h4,7-8H,1,5-6H2,2-3H3,(H,10,12).
What are the key properties of N-(1-propan-2-ylazetidin-3-yl)prop-2-enamide?
N-(1-propan-2-ylazetidin-3-yl)prop-2-enamide has a molecular weight of 168.24 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylazetidin-3-yl)prop-2-enamide is sourced from PubChem (CID 131109389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).