[(1S,3R)-3-methylcyclopentyl]-[(1R)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azanium

C18H24N3O2+ — CID 7463638

IUPAC[(1S,3R)-3-methylcyclopentyl]-[(1R)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azanium
SMILESC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3c2[nH]c2ccc([N+](=O)[O-])cc32)C1
InChIInChI=1S/C18H23N3O2/c1-11-5-6-12(9-11)19-17-4-2-3-14-15-10-13(21(22)23)7-8-16(15)20-18(14)17/h7-8,10-12,17,19-20H,2-6,9H2,1H3/p+1/t11-,12+,17-/m1/s1
InChIKeyJSGDWGPUTMTPQH-BWACUDIHSA-O
MW314.41 g/mol
LogP3.21
Rot. Bonds3

About [(1S,3R)-3-methylcyclopentyl]-[(1R)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azanium

[(1S,3R)-3-methylcyclopentyl]-[(1R)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azanium (PubChem CID 7463638) has the molecular formula C18H24N3O2+ and a molecular weight of 314.41 g/mol. Its IUPAC name is [(1S,3R)-3-methylcyclopentyl]-[(1R)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azanium.

Molecular Properties

Compound Name[(1S,3R)-3-methylcyclopentyl]-[(1R)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azanium
PubChem CID7463638
Molecular FormulaC18H24N3O2+
Molecular Weight314.41 g/mol
Exact Mass314.19
IUPAC Name[(1S,3R)-3-methylcyclopentyl]-[(1R)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azanium
SMILESC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3c2[nH]c2ccc([N+](=O)[O-])cc32)C1
InChIInChI=1S/C18H23N3O2/c1-11-5-6-12(9-11)19-17-4-2-3-14-15-10-13(21(22)23)7-8-16(15)20-18(14)17/h7-8,10-12,17,19-20H,2-6,9H2,1H3/p+1/t11-,12+,17-/m1/s1
InChIKeyJSGDWGPUTMTPQH-BWACUDIHSA-O
XLogP3.21
TPSA75.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(1S,3R)-3-methylcyclopentyl]-[(1R)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-methylcyclopentyl]-[(1R)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azanium?
The IUPAC name of [(1S,3R)-3-methylcyclopentyl]-[(1R)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azanium (CID 7463638) is [(1S,3R)-3-methylcyclopentyl]-[(1R)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azanium.
What is the SMILES notation for [(1S,3R)-3-methylcyclopentyl]-[(1R)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azanium?
The canonical SMILES for [(1S,3R)-3-methylcyclopentyl]-[(1R)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azanium is C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3c2[nH]c2ccc([N+](=O)[O-])cc32)C1.
What is the InChIKey of [(1S,3R)-3-methylcyclopentyl]-[(1R)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azanium?
The InChIKey is JSGDWGPUTMTPQH-BWACUDIHSA-O. The full InChI is InChI=1S/C18H23N3O2/c1-11-5-6-12(9-11)19-17-4-2-3-14-15-10-13(21(22)23)7-8-16(15)20-18(14)17/h7-8,10-12,17,19-20H,2-6,9H2,1H3/p+1/t11-,12+,17-/m1/s1.
What are the key properties of [(1S,3R)-3-methylcyclopentyl]-[(1R)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azanium?
[(1S,3R)-3-methylcyclopentyl]-[(1R)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azanium has a molecular weight of 314.41 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-methylcyclopentyl]-[(1R)-6-nitro-2,3,4,9-tetrahydro-1H-carbazol-1-yl]azanium is sourced from PubChem (CID 7463638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).