N-(azetidin-3-yl)-3-(furan-2-yl)prop-2-enamide

C10H12N2O2 — CID 77114393

IUPACN-(azetidin-3-yl)-3-(furan-2-yl)prop-2-enamide
SMILESO=C(C=Cc1ccco1)NC1CNC1
InChIInChI=1S/C10H12N2O2/c13-10(12-8-6-11-7-8)4-3-9-2-1-5-14-9/h1-5,8,11H,6-7H2,(H,12,13)
InChIKeyMXEHZBCKNJDTIG-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.38
Rot. Bonds3

About N-(azetidin-3-yl)-3-(furan-2-yl)prop-2-enamide

N-(azetidin-3-yl)-3-(furan-2-yl)prop-2-enamide (PubChem CID 77114393) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is N-(azetidin-3-yl)-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-3-(furan-2-yl)prop-2-enamide
PubChem CID77114393
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC NameN-(azetidin-3-yl)-3-(furan-2-yl)prop-2-enamide
SMILESO=C(C=Cc1ccco1)NC1CNC1
InChIInChI=1S/C10H12N2O2/c13-10(12-8-6-11-7-8)4-3-9-2-1-5-14-9/h1-5,8,11H,6-7H2,(H,12,13)
InChIKeyMXEHZBCKNJDTIG-UHFFFAOYSA-N
XLogP0.38
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-cyclopropyl-3-(furan-2-yl)prop-2-enamide
CID 963880
3-(furan-2-yl)-N-[2-[3-(furan-2-yl)prop-2-enoylamino]cyclohexyl]prop-2-enamide
CID 3824750
tert-butyl 4-[3-(furan-2-yl)prop-2-enoylamino]piperidine-1-carboxylate
CID 76868546
3-(furan-2-yl)-N-(2-hydroxycyclohexyl)prop-2-enamide
CID 76941530
3-(furan-2-yl)-N-(piperidin-4-ylmethyl)prop-2-enamide
CID 76923291
3-(furan-2-yl)prop-2-enoyl chloride
CID 53411285
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(E)-N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-3-(furan-2-yl)prop-2-enamide
CID 95594085
(E)-3-(furan-2-yl)-N-piperidin-1-ylprop-2-enamide
CID 9271007
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-3-(furan-2-yl)prop-2-enamide
CID 79711579
(E)-N-[2-(cycloheptylamino)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 81483200
(E)-3-(furan-2-yl)-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)prop-2-enamide
CID 114694014

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of N-(azetidin-3-yl)-3-(furan-2-yl)prop-2-enamide (CID 77114393) is N-(azetidin-3-yl)-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(azetidin-3-yl)-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for N-(azetidin-3-yl)-3-(furan-2-yl)prop-2-enamide is O=C(C=Cc1ccco1)NC1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-3-(furan-2-yl)prop-2-enamide?
The InChIKey is MXEHZBCKNJDTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c13-10(12-8-6-11-7-8)4-3-9-2-1-5-14-9/h1-5,8,11H,6-7H2,(H,12,13).
What are the key properties of N-(azetidin-3-yl)-3-(furan-2-yl)prop-2-enamide?
N-(azetidin-3-yl)-3-(furan-2-yl)prop-2-enamide has a molecular weight of 192.22 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 77114393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).