N-methyl-N-(3,4,5-trihydroxy-6-methyloxan-2-yl)prop-2-enamide

C10H17NO5 — CID 18546543

IUPACN-methyl-N-(3,4,5-trihydroxy-6-methyloxan-2-yl)prop-2-enamide
SMILESC=CC(=O)N(C)C1OC(C)C(O)C(O)C1O
InChIInChI=1S/C10H17NO5/c1-4-6(12)11(3)10-9(15)8(14)7(13)5(2)16-10/h4-5,7-10,13-15H,1H2,2-3H3
InChIKeyJPGVCVMNWHRTCU-UHFFFAOYSA-N
MW231.25 g/mol
LogP-1.54
Rot. Bonds2

About N-methyl-N-(3,4,5-trihydroxy-6-methyloxan-2-yl)prop-2-enamide

N-methyl-N-(3,4,5-trihydroxy-6-methyloxan-2-yl)prop-2-enamide (PubChem CID 18546543) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-methyl-N-(3,4,5-trihydroxy-6-methyloxan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-methyl-N-(3,4,5-trihydroxy-6-methyloxan-2-yl)prop-2-enamide
PubChem CID18546543
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC NameN-methyl-N-(3,4,5-trihydroxy-6-methyloxan-2-yl)prop-2-enamide
SMILESC=CC(=O)N(C)C1OC(C)C(O)C(O)C1O
InChIInChI=1S/C10H17NO5/c1-4-6(12)11(3)10-9(15)8(14)7(13)5(2)16-10/h4-5,7-10,13-15H,1H2,2-3H3
InChIKeyJPGVCVMNWHRTCU-UHFFFAOYSA-N
XLogP-1.54
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-methyl-N-(3,4,5-trihydroxy-6-methyloxan-2-yl)prop-2-enamide?
The IUPAC name of N-methyl-N-(3,4,5-trihydroxy-6-methyloxan-2-yl)prop-2-enamide (CID 18546543) is N-methyl-N-(3,4,5-trihydroxy-6-methyloxan-2-yl)prop-2-enamide.
What is the SMILES notation for N-methyl-N-(3,4,5-trihydroxy-6-methyloxan-2-yl)prop-2-enamide?
The canonical SMILES for N-methyl-N-(3,4,5-trihydroxy-6-methyloxan-2-yl)prop-2-enamide is C=CC(=O)N(C)C1OC(C)C(O)C(O)C1O.
What is the InChIKey of N-methyl-N-(3,4,5-trihydroxy-6-methyloxan-2-yl)prop-2-enamide?
The InChIKey is JPGVCVMNWHRTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-4-6(12)11(3)10-9(15)8(14)7(13)5(2)16-10/h4-5,7-10,13-15H,1H2,2-3H3.
What are the key properties of N-methyl-N-(3,4,5-trihydroxy-6-methyloxan-2-yl)prop-2-enamide?
N-methyl-N-(3,4,5-trihydroxy-6-methyloxan-2-yl)prop-2-enamide has a molecular weight of 231.25 g/mol, XLogP of -1.54, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3,4,5-trihydroxy-6-methyloxan-2-yl)prop-2-enamide is sourced from PubChem (CID 18546543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).