N-[1,5-dihydroxy-3-(2-hydroxyethyl)pentan-3-yl]prop-2-enamide

C10H19NO4 — CID 86083536

IUPACN-[1,5-dihydroxy-3-(2-hydroxyethyl)pentan-3-yl]prop-2-enamide
SMILESC=CC(=O)NC(CCO)(CCO)CCO
InChIInChI=1S/C10H19NO4/c1-2-9(15)11-10(3-6-12,4-7-13)5-8-14/h2,12-14H,1,3-8H2,(H,11,15)
InChIKeyNFLSAQPPURFESF-UHFFFAOYSA-N
MW217.26 g/mol
LogP-0.83
Rot. Bonds8

About N-[1,5-dihydroxy-3-(2-hydroxyethyl)pentan-3-yl]prop-2-enamide

N-[1,5-dihydroxy-3-(2-hydroxyethyl)pentan-3-yl]prop-2-enamide (PubChem CID 86083536) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is N-[1,5-dihydroxy-3-(2-hydroxyethyl)pentan-3-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[1,5-dihydroxy-3-(2-hydroxyethyl)pentan-3-yl]prop-2-enamide
PubChem CID86083536
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC NameN-[1,5-dihydroxy-3-(2-hydroxyethyl)pentan-3-yl]prop-2-enamide
SMILESC=CC(=O)NC(CCO)(CCO)CCO
InChIInChI=1S/C10H19NO4/c1-2-9(15)11-10(3-6-12,4-7-13)5-8-14/h2,12-14H,1,3-8H2,(H,11,15)
InChIKeyNFLSAQPPURFESF-UHFFFAOYSA-N
XLogP-0.83
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 5-0.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-[1,5-dihydroxy-3-(2-hydroxyethyl)pentan-3-yl]prop-2-enamide?
The IUPAC name of N-[1,5-dihydroxy-3-(2-hydroxyethyl)pentan-3-yl]prop-2-enamide (CID 86083536) is N-[1,5-dihydroxy-3-(2-hydroxyethyl)pentan-3-yl]prop-2-enamide.
What is the SMILES notation for N-[1,5-dihydroxy-3-(2-hydroxyethyl)pentan-3-yl]prop-2-enamide?
The canonical SMILES for N-[1,5-dihydroxy-3-(2-hydroxyethyl)pentan-3-yl]prop-2-enamide is C=CC(=O)NC(CCO)(CCO)CCO.
What is the InChIKey of N-[1,5-dihydroxy-3-(2-hydroxyethyl)pentan-3-yl]prop-2-enamide?
The InChIKey is NFLSAQPPURFESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-2-9(15)11-10(3-6-12,4-7-13)5-8-14/h2,12-14H,1,3-8H2,(H,11,15).
What are the key properties of N-[1,5-dihydroxy-3-(2-hydroxyethyl)pentan-3-yl]prop-2-enamide?
N-[1,5-dihydroxy-3-(2-hydroxyethyl)pentan-3-yl]prop-2-enamide has a molecular weight of 217.26 g/mol, XLogP of -0.83, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,5-dihydroxy-3-(2-hydroxyethyl)pentan-3-yl]prop-2-enamide is sourced from PubChem (CID 86083536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).