(6R)-6-(methylamino)-9-nitroso-5,6,7,8-tetrahydrocarbazole-3-carboxamide

C14H16N4O2 — CID 172642107

IUPAC(6R)-6-(methylamino)-9-nitroso-5,6,7,8-tetrahydrocarbazole-3-carboxamide
SMILESCN[C@@H]1CCc2c(c3cc(C(N)=O)ccc3n2N=O)C1
InChIInChI=1S/C14H16N4O2/c1-16-9-3-5-13-11(7-9)10-6-8(14(15)19)2-4-12(10)18(13)17-20/h2,4,6,9,16H,3,5,7H2,1H3,(H2,15,19)/t9-/m1/s1
InChIKeyAWXGBMSSAGWCLL-SECBINFHSA-N
MW272.31 g/mol
LogP1.35
Rot. Bonds3

About (6R)-6-(methylamino)-9-nitroso-5,6,7,8-tetrahydrocarbazole-3-carboxamide

(6R)-6-(methylamino)-9-nitroso-5,6,7,8-tetrahydrocarbazole-3-carboxamide (PubChem CID 172642107) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is (6R)-6-(methylamino)-9-nitroso-5,6,7,8-tetrahydrocarbazole-3-carboxamide.

Molecular Properties

Compound Name(6R)-6-(methylamino)-9-nitroso-5,6,7,8-tetrahydrocarbazole-3-carboxamide
PubChem CID172642107
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name(6R)-6-(methylamino)-9-nitroso-5,6,7,8-tetrahydrocarbazole-3-carboxamide
SMILESCN[C@@H]1CCc2c(c3cc(C(N)=O)ccc3n2N=O)C1
InChIInChI=1S/C14H16N4O2/c1-16-9-3-5-13-11(7-9)10-6-8(14(15)19)2-4-12(10)18(13)17-20/h2,4,6,9,16H,3,5,7H2,1H3,(H2,15,19)/t9-/m1/s1
InChIKeyAWXGBMSSAGWCLL-SECBINFHSA-N
XLogP1.35
TPSA89.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-(methylamino)-9-nitroso-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The IUPAC name of (6R)-6-(methylamino)-9-nitroso-5,6,7,8-tetrahydrocarbazole-3-carboxamide (CID 172642107) is (6R)-6-(methylamino)-9-nitroso-5,6,7,8-tetrahydrocarbazole-3-carboxamide.
What is the SMILES notation for (6R)-6-(methylamino)-9-nitroso-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The canonical SMILES for (6R)-6-(methylamino)-9-nitroso-5,6,7,8-tetrahydrocarbazole-3-carboxamide is CN[C@@H]1CCc2c(c3cc(C(N)=O)ccc3n2N=O)C1.
What is the InChIKey of (6R)-6-(methylamino)-9-nitroso-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
The InChIKey is AWXGBMSSAGWCLL-SECBINFHSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-16-9-3-5-13-11(7-9)10-6-8(14(15)19)2-4-12(10)18(13)17-20/h2,4,6,9,16H,3,5,7H2,1H3,(H2,15,19)/t9-/m1/s1.
What are the key properties of (6R)-6-(methylamino)-9-nitroso-5,6,7,8-tetrahydrocarbazole-3-carboxamide?
(6R)-6-(methylamino)-9-nitroso-5,6,7,8-tetrahydrocarbazole-3-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(methylamino)-9-nitroso-5,6,7,8-tetrahydrocarbazole-3-carboxamide is sourced from PubChem (CID 172642107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).