N-[(4aS)-8-oxo-4a,5,6,7-tetrahydrocarbazol-3-yl]acetamide

C14H14N2O2 — CID 126422202

IUPACN-[(4aS)-8-oxo-4a,5,6,7-tetrahydrocarbazol-3-yl]acetamide
SMILESCC(=O)NC1=C[C@@H]2C(=NC3=C2CCCC3=O)C=C1
InChIInChI=1S/C14H14N2O2/c1-8(17)15-9-5-6-12-11(7-9)10-3-2-4-13(18)14(10)16-12/h5-7,11H,2-4H2,1H3,(H,15,17)/t11-/m0/s1
InChIKeyPTVLEDLBSOQVJU-NSHDSACASA-N
MW242.28 g/mol
LogP1.65
Rot. Bonds1

About N-[(4aS)-8-oxo-4a,5,6,7-tetrahydrocarbazol-3-yl]acetamide

N-[(4aS)-8-oxo-4a,5,6,7-tetrahydrocarbazol-3-yl]acetamide (PubChem CID 126422202) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is N-[(4aS)-8-oxo-4a,5,6,7-tetrahydrocarbazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(4aS)-8-oxo-4a,5,6,7-tetrahydrocarbazol-3-yl]acetamide
PubChem CID126422202
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC NameN-[(4aS)-8-oxo-4a,5,6,7-tetrahydrocarbazol-3-yl]acetamide
SMILESCC(=O)NC1=C[C@@H]2C(=NC3=C2CCCC3=O)C=C1
InChIInChI=1S/C14H14N2O2/c1-8(17)15-9-5-6-12-11(7-9)10-3-2-4-13(18)14(10)16-12/h5-7,11H,2-4H2,1H3,(H,15,17)/t11-/m0/s1
InChIKeyPTVLEDLBSOQVJU-NSHDSACASA-N
XLogP1.65
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4aS)-8-oxo-4a,5,6,7-tetrahydrocarbazol-3-yl]acetamide?
The IUPAC name of N-[(4aS)-8-oxo-4a,5,6,7-tetrahydrocarbazol-3-yl]acetamide (CID 126422202) is N-[(4aS)-8-oxo-4a,5,6,7-tetrahydrocarbazol-3-yl]acetamide.
What is the SMILES notation for N-[(4aS)-8-oxo-4a,5,6,7-tetrahydrocarbazol-3-yl]acetamide?
The canonical SMILES for N-[(4aS)-8-oxo-4a,5,6,7-tetrahydrocarbazol-3-yl]acetamide is CC(=O)NC1=C[C@@H]2C(=NC3=C2CCCC3=O)C=C1.
What is the InChIKey of N-[(4aS)-8-oxo-4a,5,6,7-tetrahydrocarbazol-3-yl]acetamide?
The InChIKey is PTVLEDLBSOQVJU-NSHDSACASA-N. The full InChI is InChI=1S/C14H14N2O2/c1-8(17)15-9-5-6-12-11(7-9)10-3-2-4-13(18)14(10)16-12/h5-7,11H,2-4H2,1H3,(H,15,17)/t11-/m0/s1.
What are the key properties of N-[(4aS)-8-oxo-4a,5,6,7-tetrahydrocarbazol-3-yl]acetamide?
N-[(4aS)-8-oxo-4a,5,6,7-tetrahydrocarbazol-3-yl]acetamide has a molecular weight of 242.28 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4aS)-8-oxo-4a,5,6,7-tetrahydrocarbazol-3-yl]acetamide is sourced from PubChem (CID 126422202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).