(2R)-2-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2,3-dihydro-1H-indole-5-carboxamide

C17H24N2O2 — CID 10016993

IUPAC(2R)-2-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2,3-dihydro-1H-indole-5-carboxamide
SMILESCC(C)=CCC[C@](C)(O)[C@H]1Cc2cc(C(N)=O)ccc2N1
InChIInChI=1S/C17H24N2O2/c1-11(2)5-4-8-17(3,21)15-10-13-9-12(16(18)20)6-7-14(13)19-15/h5-7,9,15,19,21H,4,8,10H2,1-3H3,(H2,18,20)/t15-,17+/m1/s1
InChIKeyODYCYXKNGGGAMF-WBVHZDCISA-N
MW288.39 g/mol
LogP2.62
Rot. Bonds5

About (2R)-2-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2,3-dihydro-1H-indole-5-carboxamide

(2R)-2-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2,3-dihydro-1H-indole-5-carboxamide (PubChem CID 10016993) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (2R)-2-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2,3-dihydro-1H-indole-5-carboxamide.

Molecular Properties

Compound Name(2R)-2-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2,3-dihydro-1H-indole-5-carboxamide
PubChem CID10016993
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(2R)-2-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2,3-dihydro-1H-indole-5-carboxamide
SMILESCC(C)=CCC[C@](C)(O)[C@H]1Cc2cc(C(N)=O)ccc2N1
InChIInChI=1S/C17H24N2O2/c1-11(2)5-4-8-17(3,21)15-10-13-9-12(16(18)20)6-7-14(13)19-15/h5-7,9,15,19,21H,4,8,10H2,1-3H3,(H2,18,20)/t15-,17+/m1/s1
InChIKeyODYCYXKNGGGAMF-WBVHZDCISA-N
XLogP2.62
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2,3-dihydro-1H-indole-5-carboxamide?
The IUPAC name of (2R)-2-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2,3-dihydro-1H-indole-5-carboxamide (CID 10016993) is (2R)-2-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2,3-dihydro-1H-indole-5-carboxamide.
What is the SMILES notation for (2R)-2-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2,3-dihydro-1H-indole-5-carboxamide?
The canonical SMILES for (2R)-2-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2,3-dihydro-1H-indole-5-carboxamide is CC(C)=CCC[C@](C)(O)[C@H]1Cc2cc(C(N)=O)ccc2N1.
What is the InChIKey of (2R)-2-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2,3-dihydro-1H-indole-5-carboxamide?
The InChIKey is ODYCYXKNGGGAMF-WBVHZDCISA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11(2)5-4-8-17(3,21)15-10-13-9-12(16(18)20)6-7-14(13)19-15/h5-7,9,15,19,21H,4,8,10H2,1-3H3,(H2,18,20)/t15-,17+/m1/s1.
What are the key properties of (2R)-2-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2,3-dihydro-1H-indole-5-carboxamide?
(2R)-2-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2,3-dihydro-1H-indole-5-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.62, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2,3-dihydro-1H-indole-5-carboxamide is sourced from PubChem (CID 10016993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).