(Z)-4-methyl-N-[(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]pent-2-enamide

C15H25NO2 — CID 58223645

IUPAC(Z)-4-methyl-N-[(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]pent-2-enamide
SMILESC=CC[C@H]1CC[C@@H](NC(=O)/C=C\C(C)C)[C@@H](C)O1
InChIInChI=1S/C15H25NO2/c1-5-6-13-8-9-14(12(4)18-13)16-15(17)10-7-11(2)3/h5,7,10-14H,1,6,8-9H2,2-4H3,(H,16,17)/b10-7-/t12-,13+,14-/m1/s1
InChIKeyYCLWVSJQFBHFQU-JBBBYPSYSA-N
MW251.37 g/mol
LogP2.83
Rot. Bonds5

About (Z)-4-methyl-N-[(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]pent-2-enamide

(Z)-4-methyl-N-[(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]pent-2-enamide (PubChem CID 58223645) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is (Z)-4-methyl-N-[(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]pent-2-enamide.

Molecular Properties

Compound Name(Z)-4-methyl-N-[(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]pent-2-enamide
PubChem CID58223645
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name(Z)-4-methyl-N-[(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]pent-2-enamide
SMILESC=CC[C@H]1CC[C@@H](NC(=O)/C=C\C(C)C)[C@@H](C)O1
InChIInChI=1S/C15H25NO2/c1-5-6-13-8-9-14(12(4)18-13)16-15(17)10-7-11(2)3/h5,7,10-14H,1,6,8-9H2,2-4H3,(H,16,17)/b10-7-/t12-,13+,14-/m1/s1
InChIKeyYCLWVSJQFBHFQU-JBBBYPSYSA-N
XLogP2.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-methyl-N-[(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]pent-2-enamide?
The IUPAC name of (Z)-4-methyl-N-[(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]pent-2-enamide (CID 58223645) is (Z)-4-methyl-N-[(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]pent-2-enamide.
What is the SMILES notation for (Z)-4-methyl-N-[(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]pent-2-enamide?
The canonical SMILES for (Z)-4-methyl-N-[(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]pent-2-enamide is C=CC[C@H]1CC[C@@H](NC(=O)/C=C\C(C)C)[C@@H](C)O1.
What is the InChIKey of (Z)-4-methyl-N-[(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]pent-2-enamide?
The InChIKey is YCLWVSJQFBHFQU-JBBBYPSYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-6-13-8-9-14(12(4)18-13)16-15(17)10-7-11(2)3/h5,7,10-14H,1,6,8-9H2,2-4H3,(H,16,17)/b10-7-/t12-,13+,14-/m1/s1.
What are the key properties of (Z)-4-methyl-N-[(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]pent-2-enamide?
(Z)-4-methyl-N-[(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]pent-2-enamide has a molecular weight of 251.37 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-N-[(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-yl]pent-2-enamide is sourced from PubChem (CID 58223645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).