(Z)-N-[(2R,3R,6R)-2,5-dimethyl-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]-4-methylpent-2-enamide

C16H25NO2 — CID 159348037

IUPAC(Z)-N-[(2R,3R,6R)-2,5-dimethyl-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]-4-methylpent-2-enamide
SMILESC=CC[C@H]1O[C@H](C)[C@H](NC(=O)/C=C\C(C)C)C=C1C
InChIInChI=1S/C16H25NO2/c1-6-7-15-12(4)10-14(13(5)19-15)17-16(18)9-8-11(2)3/h6,8-11,13-15H,1,7H2,2-5H3,(H,17,18)/b9-8-/t13-,14-,15-/m1/s1
InChIKeyLGYXTHDMACUPRW-RKNRVPRMSA-N
MW263.38 g/mol
LogP2.99
Rot. Bonds5

About (Z)-N-[(2R,3R,6R)-2,5-dimethyl-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]-4-methylpent-2-enamide

(Z)-N-[(2R,3R,6R)-2,5-dimethyl-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]-4-methylpent-2-enamide (PubChem CID 159348037) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is (Z)-N-[(2R,3R,6R)-2,5-dimethyl-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]-4-methylpent-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(2R,3R,6R)-2,5-dimethyl-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]-4-methylpent-2-enamide
PubChem CID159348037
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name(Z)-N-[(2R,3R,6R)-2,5-dimethyl-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]-4-methylpent-2-enamide
SMILESC=CC[C@H]1O[C@H](C)[C@H](NC(=O)/C=C\C(C)C)C=C1C
InChIInChI=1S/C16H25NO2/c1-6-7-15-12(4)10-14(13(5)19-15)17-16(18)9-8-11(2)3/h6,8-11,13-15H,1,7H2,2-5H3,(H,17,18)/b9-8-/t13-,14-,15-/m1/s1
InChIKeyLGYXTHDMACUPRW-RKNRVPRMSA-N
XLogP2.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.99
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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Related Compounds

(Z)-N-[(2R,3R,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-(2-oxopropyl)-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyl-3,6-dihydro-2H-pyran-3-yl]-4-methylpent-2-enamide
CID 157496809
(2R,3R)-2,3,5-trimethyl-6-prop-2-enyl-3,6-dihydro-2H-pyran
CID 155455525
4-methyl-N-prop-2-enoylpent-2-enamide
CID 140774476
[(2S)-5-[[(2R,3R,5S,6S)-2,5-dimethyl-6-prop-2-enyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate
CID 90926430
(Z)-4-methyl-N-[(2R,3R,6R)-2-methyl-6-[(E)-3-methyl-4-oxobut-2-enyl]oxan-3-yl]pent-2-enamide
CID 58223670
(Z)-N-[6-[(2E,4E)-3,6-dimethylocta-2,4-dienyl]-2,5-dimethyloxan-3-yl]-4-methylpent-2-enamide
CID 144618423
(E)-4-methyl-N-(4-methylphenyl)pent-2-enamide
CID 70821630
(Z,4S)-N-[(2R,3R,5S,6S)-2,5-dimethyl-6-(3-methylbut-2-enyl)oxan-3-yl]-4-hydroxypent-2-enamide
CID 126480989
(2S)-2-[(E)-5-[[(2R,3R,5S,6S)-2,5-dimethyl-6-prop-2-enyloxan-3-yl]amino]-5-oxopent-3-en-2-yl]morpholine-4-carboxylic acid
CID 138539414
(Z)-N-[(2R,3R,6R)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-methyl-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2-methyloxan-3-yl]-4-methylpent-2-enamide
CID 58223669
N-[(1R,2S,6R)-4-methyl-6-propan-2-yloxy-2-prop-2-enylcyclohex-3-en-1-yl]acetamide
CID 59076521
(E)-4-methyl-N-(thiolan-3-yl)pent-2-enamide
CID 131242989

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(2R,3R,6R)-2,5-dimethyl-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]-4-methylpent-2-enamide?
The IUPAC name of (Z)-N-[(2R,3R,6R)-2,5-dimethyl-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]-4-methylpent-2-enamide (CID 159348037) is (Z)-N-[(2R,3R,6R)-2,5-dimethyl-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]-4-methylpent-2-enamide.
What is the SMILES notation for (Z)-N-[(2R,3R,6R)-2,5-dimethyl-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]-4-methylpent-2-enamide?
The canonical SMILES for (Z)-N-[(2R,3R,6R)-2,5-dimethyl-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]-4-methylpent-2-enamide is C=CC[C@H]1O[C@H](C)[C@H](NC(=O)/C=C\C(C)C)C=C1C.
What is the InChIKey of (Z)-N-[(2R,3R,6R)-2,5-dimethyl-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]-4-methylpent-2-enamide?
The InChIKey is LGYXTHDMACUPRW-RKNRVPRMSA-N. The full InChI is InChI=1S/C16H25NO2/c1-6-7-15-12(4)10-14(13(5)19-15)17-16(18)9-8-11(2)3/h6,8-11,13-15H,1,7H2,2-5H3,(H,17,18)/b9-8-/t13-,14-,15-/m1/s1.
What are the key properties of (Z)-N-[(2R,3R,6R)-2,5-dimethyl-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]-4-methylpent-2-enamide?
(Z)-N-[(2R,3R,6R)-2,5-dimethyl-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]-4-methylpent-2-enamide has a molecular weight of 263.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(2R,3R,6R)-2,5-dimethyl-6-prop-2-enyl-3,6-dihydro-2H-pyran-3-yl]-4-methylpent-2-enamide is sourced from PubChem (CID 159348037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).