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

C10H18N2O — CID 135165433

IUPACN-(2-methyl-1-propan-2-ylazetidin-3-yl)prop-2-enamide
SMILESC=CC(=O)NC1CN(C(C)C)C1C
InChIInChI=1S/C10H18N2O/c1-5-10(13)11-9-6-12(7(2)3)8(9)4/h5,7-9H,1,6H2,2-4H3,(H,11,13)
InChIKeyYJGSHRNRCSUOEQ-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.77
Rot. Bonds3

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

N-(2-methyl-1-propan-2-ylazetidin-3-yl)prop-2-enamide (PubChem CID 135165433) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-(2-methyl-1-propan-2-ylazetidin-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-methyl-1-propan-2-ylazetidin-3-yl)prop-2-enamide
PubChem CID135165433
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-(2-methyl-1-propan-2-ylazetidin-3-yl)prop-2-enamide
SMILESC=CC(=O)NC1CN(C(C)C)C1C
InChIInChI=1S/C10H18N2O/c1-5-10(13)11-9-6-12(7(2)3)8(9)4/h5,7-9H,1,6H2,2-4H3,(H,11,13)
InChIKeyYJGSHRNRCSUOEQ-UHFFFAOYSA-N
XLogP0.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.77
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-(2-methyl-1-propan-2-ylazetidin-3-yl)prop-2-enamide?
The IUPAC name of N-(2-methyl-1-propan-2-ylazetidin-3-yl)prop-2-enamide (CID 135165433) is N-(2-methyl-1-propan-2-ylazetidin-3-yl)prop-2-enamide.
What is the SMILES notation for N-(2-methyl-1-propan-2-ylazetidin-3-yl)prop-2-enamide?
The canonical SMILES for N-(2-methyl-1-propan-2-ylazetidin-3-yl)prop-2-enamide is C=CC(=O)NC1CN(C(C)C)C1C.
What is the InChIKey of N-(2-methyl-1-propan-2-ylazetidin-3-yl)prop-2-enamide?
The InChIKey is YJGSHRNRCSUOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-5-10(13)11-9-6-12(7(2)3)8(9)4/h5,7-9H,1,6H2,2-4H3,(H,11,13).
What are the key properties of N-(2-methyl-1-propan-2-ylazetidin-3-yl)prop-2-enamide?
N-(2-methyl-1-propan-2-ylazetidin-3-yl)prop-2-enamide has a molecular weight of 182.27 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-propan-2-ylazetidin-3-yl)prop-2-enamide is sourced from PubChem (CID 135165433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).