1-[2-(3-hydroxy-1-adamantyl)prop-2-enoyl]-2,3-dihydropyrrole-2-carboxamide

C18H24N2O3 — CID 121286780

IUPAC1-[2-(3-hydroxy-1-adamantyl)prop-2-enoyl]-2,3-dihydropyrrole-2-carboxamide
SMILESC=C(C(=O)N1C=CCC1C(N)=O)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C18H24N2O3/c1-11(16(22)20-4-2-3-14(20)15(19)21)17-6-12-5-13(7-17)9-18(23,8-12)10-17/h2,4,12-14,23H,1,3,5-10H2,(H2,19,21)
InChIKeyPGKMYZOAOVPZPB-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.47
Rot. Bonds3

About 1-[2-(3-hydroxy-1-adamantyl)prop-2-enoyl]-2,3-dihydropyrrole-2-carboxamide

1-[2-(3-hydroxy-1-adamantyl)prop-2-enoyl]-2,3-dihydropyrrole-2-carboxamide (PubChem CID 121286780) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[2-(3-hydroxy-1-adamantyl)prop-2-enoyl]-2,3-dihydropyrrole-2-carboxamide.

Molecular Properties

Compound Name1-[2-(3-hydroxy-1-adamantyl)prop-2-enoyl]-2,3-dihydropyrrole-2-carboxamide
PubChem CID121286780
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-[2-(3-hydroxy-1-adamantyl)prop-2-enoyl]-2,3-dihydropyrrole-2-carboxamide
SMILESC=C(C(=O)N1C=CCC1C(N)=O)C12CC3CC(CC(O)(C3)C1)C2
InChIInChI=1S/C18H24N2O3/c1-11(16(22)20-4-2-3-14(20)15(19)21)17-6-12-5-13(7-17)9-18(23,8-12)10-17/h2,4,12-14,23H,1,3,5-10H2,(H2,19,21)
InChIKeyPGKMYZOAOVPZPB-UHFFFAOYSA-N
XLogP1.47
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-[2-(3-hydroxy-1-adamantyl)prop-2-enoyl]-2,3-dihydropyrrole-2-carboxamide?
The IUPAC name of 1-[2-(3-hydroxy-1-adamantyl)prop-2-enoyl]-2,3-dihydropyrrole-2-carboxamide (CID 121286780) is 1-[2-(3-hydroxy-1-adamantyl)prop-2-enoyl]-2,3-dihydropyrrole-2-carboxamide.
What is the SMILES notation for 1-[2-(3-hydroxy-1-adamantyl)prop-2-enoyl]-2,3-dihydropyrrole-2-carboxamide?
The canonical SMILES for 1-[2-(3-hydroxy-1-adamantyl)prop-2-enoyl]-2,3-dihydropyrrole-2-carboxamide is C=C(C(=O)N1C=CCC1C(N)=O)C12CC3CC(CC(O)(C3)C1)C2.
What is the InChIKey of 1-[2-(3-hydroxy-1-adamantyl)prop-2-enoyl]-2,3-dihydropyrrole-2-carboxamide?
The InChIKey is PGKMYZOAOVPZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-11(16(22)20-4-2-3-14(20)15(19)21)17-6-12-5-13(7-17)9-18(23,8-12)10-17/h2,4,12-14,23H,1,3,5-10H2,(H2,19,21).
What are the key properties of 1-[2-(3-hydroxy-1-adamantyl)prop-2-enoyl]-2,3-dihydropyrrole-2-carboxamide?
1-[2-(3-hydroxy-1-adamantyl)prop-2-enoyl]-2,3-dihydropyrrole-2-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-hydroxy-1-adamantyl)prop-2-enoyl]-2,3-dihydropyrrole-2-carboxamide is sourced from PubChem (CID 121286780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).