N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-6-carboxamide

C19H24N2O — CID 98785961

IUPACN-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-6-carboxamide
SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1ccc3cc[nH]c3c1)C2
InChIInChI=1S/C19H24N2O/c1-18(2)14-6-8-19(18,3)16(11-14)21-17(22)13-5-4-12-7-9-20-15(12)10-13/h4-5,7,9-10,14,16,20H,6,8,11H2,1-3H3,(H,21,22)/t14-,16-,19-/m0/s1
InChIKeyZMNDFIJFVYGVEO-QOKNQOGYSA-N
MW296.41 g/mol
LogP4.11
Rot. Bonds2

About N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-6-carboxamide

N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-6-carboxamide (PubChem CID 98785961) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-6-carboxamide
PubChem CID98785961
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-6-carboxamide
SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1ccc3cc[nH]c3c1)C2
InChIInChI=1S/C19H24N2O/c1-18(2)14-6-8-19(18,3)16(11-14)21-17(22)13-5-4-12-7-9-20-15(12)10-13/h4-5,7,9-10,14,16,20H,6,8,11H2,1-3H3,(H,21,22)/t14-,16-,19-/m0/s1
InChIKeyZMNDFIJFVYGVEO-QOKNQOGYSA-N
XLogP4.11
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-6-carboxamide?
The IUPAC name of N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-6-carboxamide (CID 98785961) is N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-6-carboxamide is CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1ccc3cc[nH]c3c1)C2.
What is the InChIKey of N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-6-carboxamide?
The InChIKey is ZMNDFIJFVYGVEO-QOKNQOGYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-18(2)14-6-8-19(18,3)16(11-14)21-17(22)13-5-4-12-7-9-20-15(12)10-13/h4-5,7,9-10,14,16,20H,6,8,11H2,1-3H3,(H,21,22)/t14-,16-,19-/m0/s1.
What are the key properties of N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-6-carboxamide?
N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-6-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 4.11, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 98785961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).