N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-N'-(1-methylindol-6-yl)oxamide

C17H19N3O3 — CID 111798853

IUPACN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-N'-(1-methylindol-6-yl)oxamide
SMILESCn1ccc2ccc(NC(=O)C(=O)N[C@@H]3C=C[C@H](CO)C3)cc21
InChIInChI=1S/C17H19N3O3/c1-20-7-6-12-3-5-14(9-15(12)20)19-17(23)16(22)18-13-4-2-11(8-13)10-21/h2-7,9,11,13,21H,8,10H2,1H3,(H,18,22)(H,19,23)/t11-,13+/m0/s1
InChIKeyQUUJWWYZASPHSY-WCQYABFASA-N
MW313.36 g/mol
LogP1.17
Rot. Bonds3

About N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-N'-(1-methylindol-6-yl)oxamide

N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-N'-(1-methylindol-6-yl)oxamide (PubChem CID 111798853) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-N'-(1-methylindol-6-yl)oxamide.

Molecular Properties

Compound NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-N'-(1-methylindol-6-yl)oxamide
PubChem CID111798853
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-N'-(1-methylindol-6-yl)oxamide
SMILESCn1ccc2ccc(NC(=O)C(=O)N[C@@H]3C=C[C@H](CO)C3)cc21
InChIInChI=1S/C17H19N3O3/c1-20-7-6-12-3-5-14(9-15(12)20)19-17(23)16(22)18-13-4-2-11(8-13)10-21/h2-7,9,11,13,21H,8,10H2,1H3,(H,18,22)(H,19,23)/t11-,13+/m0/s1
InChIKeyQUUJWWYZASPHSY-WCQYABFASA-N
XLogP1.17
TPSA83.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-N'-(1-methylindol-6-yl)oxamide?
The IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-N'-(1-methylindol-6-yl)oxamide (CID 111798853) is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-N'-(1-methylindol-6-yl)oxamide.
What is the SMILES notation for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-N'-(1-methylindol-6-yl)oxamide?
The canonical SMILES for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-N'-(1-methylindol-6-yl)oxamide is Cn1ccc2ccc(NC(=O)C(=O)N[C@@H]3C=C[C@H](CO)C3)cc21.
What is the InChIKey of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-N'-(1-methylindol-6-yl)oxamide?
The InChIKey is QUUJWWYZASPHSY-WCQYABFASA-N. The full InChI is InChI=1S/C17H19N3O3/c1-20-7-6-12-3-5-14(9-15(12)20)19-17(23)16(22)18-13-4-2-11(8-13)10-21/h2-7,9,11,13,21H,8,10H2,1H3,(H,18,22)(H,19,23)/t11-,13+/m0/s1.
What are the key properties of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-N'-(1-methylindol-6-yl)oxamide?
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-N'-(1-methylindol-6-yl)oxamide has a molecular weight of 313.36 g/mol, XLogP of 1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-N'-(1-methylindol-6-yl)oxamide is sourced from PubChem (CID 111798853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).