N-[1-(2-methylpropyl)azetidin-3-yl]prop-2-enamide

C10H18N2O — CID 167098404

IUPACN-[1-(2-methylpropyl)azetidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1CN(CC(C)C)C1
InChIInChI=1S/C10H18N2O/c1-4-10(13)11-9-6-12(7-9)5-8(2)3/h4,8-9H,1,5-7H2,2-3H3,(H,11,13)
InChIKeyIPLZXZVBDOKHCF-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.63
Rot. Bonds4

About N-[1-(2-methylpropyl)azetidin-3-yl]prop-2-enamide

N-[1-(2-methylpropyl)azetidin-3-yl]prop-2-enamide (PubChem CID 167098404) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[1-(2-methylpropyl)azetidin-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-(2-methylpropyl)azetidin-3-yl]prop-2-enamide
PubChem CID167098404
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-[1-(2-methylpropyl)azetidin-3-yl]prop-2-enamide
SMILESC=CC(=O)NC1CN(CC(C)C)C1
InChIInChI=1S/C10H18N2O/c1-4-10(13)11-9-6-12(7-9)5-8(2)3/h4,8-9H,1,5-7H2,2-3H3,(H,11,13)
InChIKeyIPLZXZVBDOKHCF-UHFFFAOYSA-N
XLogP0.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.63
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-(2-methylpropyl)azetidin-3-yl]prop-2-enamide?
The IUPAC name of N-[1-(2-methylpropyl)azetidin-3-yl]prop-2-enamide (CID 167098404) is N-[1-(2-methylpropyl)azetidin-3-yl]prop-2-enamide.
What is the SMILES notation for N-[1-(2-methylpropyl)azetidin-3-yl]prop-2-enamide?
The canonical SMILES for N-[1-(2-methylpropyl)azetidin-3-yl]prop-2-enamide is C=CC(=O)NC1CN(CC(C)C)C1.
What is the InChIKey of N-[1-(2-methylpropyl)azetidin-3-yl]prop-2-enamide?
The InChIKey is IPLZXZVBDOKHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-4-10(13)11-9-6-12(7-9)5-8(2)3/h4,8-9H,1,5-7H2,2-3H3,(H,11,13).
What are the key properties of N-[1-(2-methylpropyl)azetidin-3-yl]prop-2-enamide?
N-[1-(2-methylpropyl)azetidin-3-yl]prop-2-enamide has a molecular weight of 182.27 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylpropyl)azetidin-3-yl]prop-2-enamide is sourced from PubChem (CID 167098404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).