(Z)-4,4-dihydroxy-N-[6-(2-oxopyrrolidin-1-yl)hexyl]but-2-enamide

C14H24N2O4 — CID 135235066

IUPAC(Z)-4,4-dihydroxy-N-[6-(2-oxopyrrolidin-1-yl)hexyl]but-2-enamide
SMILESO=C(/C=C\C(O)O)NCCCCCCN1CCCC1=O
InChIInChI=1S/C14H24N2O4/c17-12(7-8-14(19)20)15-9-3-1-2-4-10-16-11-5-6-13(16)18/h7-8,14,19-20H,1-6,9-11H2,(H,15,17)/b8-7-
InChIKeyCGXGAMZSNCPDDT-FPLPWBNLSA-N
MW284.36 g/mol
LogP0.15
Rot. Bonds9

About (Z)-4,4-dihydroxy-N-[6-(2-oxopyrrolidin-1-yl)hexyl]but-2-enamide

(Z)-4,4-dihydroxy-N-[6-(2-oxopyrrolidin-1-yl)hexyl]but-2-enamide (PubChem CID 135235066) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is (Z)-4,4-dihydroxy-N-[6-(2-oxopyrrolidin-1-yl)hexyl]but-2-enamide.

Molecular Properties

Compound Name(Z)-4,4-dihydroxy-N-[6-(2-oxopyrrolidin-1-yl)hexyl]but-2-enamide
PubChem CID135235066
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name(Z)-4,4-dihydroxy-N-[6-(2-oxopyrrolidin-1-yl)hexyl]but-2-enamide
SMILESO=C(/C=C\C(O)O)NCCCCCCN1CCCC1=O
InChIInChI=1S/C14H24N2O4/c17-12(7-8-14(19)20)15-9-3-1-2-4-10-16-11-5-6-13(16)18/h7-8,14,19-20H,1-6,9-11H2,(H,15,17)/b8-7-
InChIKeyCGXGAMZSNCPDDT-FPLPWBNLSA-N
XLogP0.15
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-5-oxo-5-[6-(2-oxoazepan-1-yl)hexylamino]pent-3-enoic acid
CID 142474411
(Z)-4,5-dioxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pent-2-enamide
CID 145315268
7-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]heptanamide
CID 119671569
(E)-3-[2-(difluoromethoxy)phenyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
CID 39888645
N'-tert-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
CID 45000134
4-oxo-4-[2-(2-oxoazepan-1-yl)ethylamino]but-2-enoic acid
CID 157315369
1-(22-hydroxydocosyl)pyrrolidin-2-one
CID 151557638
2-(2-oxopiperidin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86984731
(2S)-2-amino-3,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 119671584
N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 123515256
N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopentanecarboxamide
CID 17217958
2-[2-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethoxy]ethoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 574581

Frequently Asked Questions

What is the IUPAC name of (Z)-4,4-dihydroxy-N-[6-(2-oxopyrrolidin-1-yl)hexyl]but-2-enamide?
The IUPAC name of (Z)-4,4-dihydroxy-N-[6-(2-oxopyrrolidin-1-yl)hexyl]but-2-enamide (CID 135235066) is (Z)-4,4-dihydroxy-N-[6-(2-oxopyrrolidin-1-yl)hexyl]but-2-enamide.
What is the SMILES notation for (Z)-4,4-dihydroxy-N-[6-(2-oxopyrrolidin-1-yl)hexyl]but-2-enamide?
The canonical SMILES for (Z)-4,4-dihydroxy-N-[6-(2-oxopyrrolidin-1-yl)hexyl]but-2-enamide is O=C(/C=C\C(O)O)NCCCCCCN1CCCC1=O.
What is the InChIKey of (Z)-4,4-dihydroxy-N-[6-(2-oxopyrrolidin-1-yl)hexyl]but-2-enamide?
The InChIKey is CGXGAMZSNCPDDT-FPLPWBNLSA-N. The full InChI is InChI=1S/C14H24N2O4/c17-12(7-8-14(19)20)15-9-3-1-2-4-10-16-11-5-6-13(16)18/h7-8,14,19-20H,1-6,9-11H2,(H,15,17)/b8-7-.
What are the key properties of (Z)-4,4-dihydroxy-N-[6-(2-oxopyrrolidin-1-yl)hexyl]but-2-enamide?
(Z)-4,4-dihydroxy-N-[6-(2-oxopyrrolidin-1-yl)hexyl]but-2-enamide has a molecular weight of 284.36 g/mol, XLogP of 0.15, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,4-dihydroxy-N-[6-(2-oxopyrrolidin-1-yl)hexyl]but-2-enamide is sourced from PubChem (CID 135235066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).