(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide

C10H13NO3 — CID 43389898

IUPAC(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCCCO
InChIInChI=1S/C10H13NO3/c12-7-2-6-11-10(13)5-4-9-3-1-8-14-9/h1,3-5,8,12H,2,6-7H2,(H,11,13)/b5-4+
InChIKeyNLCODQMJQIUKDI-SNAWJCMRSA-N
MW195.22 g/mol
LogP0.79
Rot. Bonds5

About (E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide

(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide (PubChem CID 43389898) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
PubChem CID43389898
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)NCCCO
InChIInChI=1S/C10H13NO3/c12-7-2-6-11-10(13)5-4-9-3-1-8-14-9/h1,3-5,8,12H,2,6-7H2,(H,11,13)/b5-4+
InChIKeyNLCODQMJQIUKDI-SNAWJCMRSA-N
XLogP0.79
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pentanoic acid
CID 62033778
3-(furan-2-yl)-N-hexylprop-2-enamide
CID 3705621
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(E)-3-(furan-2-yl)-N-(3-methoxypropyl)prop-2-enamide
CID 6162293
6-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-N-methylhexanamide
CID 59509588
(E)-3-(furan-2-yl)-N-(2-phenylethyl)prop-2-enamide
CID 790283
(E)-3-(furan-2-yl)-N-(5-hydroxy-3-phenylpentyl)prop-2-enamide
CID 121112127
(E)-3-(furan-2-yl)-N-pent-3-ynylprop-2-enamide
CID 115979782
(E)-N-(2,2-difluoro-3-hydroxypropyl)-3-(furan-2-yl)prop-2-enamide
CID 104857087
2,6-difluoro-N-[2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]ethyl]benzamide
CID 56789002
(E)-N-[2-(4-fluorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 7700192
(E)-3-(furan-2-yl)-N-[3-(3-methylphenoxy)propyl]prop-2-enamide
CID 24533349

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide (CID 43389898) is (E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide is O=C(/C=C/c1ccco1)NCCCO.
What is the InChIKey of (E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide?
The InChIKey is NLCODQMJQIUKDI-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H13NO3/c12-7-2-6-11-10(13)5-4-9-3-1-8-14-9/h1,3-5,8,12H,2,6-7H2,(H,11,13)/b5-4+.
What are the key properties of (E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide?
(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide has a molecular weight of 195.22 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide is sourced from PubChem (CID 43389898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).