7-pyrrolidin-1-yl-2,3,4,9-tetrahydrocarbazol-1-one

C16H18N2O — CID 168514873

IUPAC7-pyrrolidin-1-yl-2,3,4,9-tetrahydrocarbazol-1-one
SMILESO=C1CCCc2c1[nH]c1cc(N3CCCC3)ccc21
InChIInChI=1S/C16H18N2O/c19-15-5-3-4-13-12-7-6-11(18-8-1-2-9-18)10-14(12)17-16(13)15/h6-7,10,17H,1-5,8-9H2
InChIKeyGAOFXFQVXJNESO-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.29
Rot. Bonds1

About 7-pyrrolidin-1-yl-2,3,4,9-tetrahydrocarbazol-1-one

7-pyrrolidin-1-yl-2,3,4,9-tetrahydrocarbazol-1-one (PubChem CID 168514873) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 7-pyrrolidin-1-yl-2,3,4,9-tetrahydrocarbazol-1-one.

Molecular Properties

Compound Name7-pyrrolidin-1-yl-2,3,4,9-tetrahydrocarbazol-1-one
PubChem CID168514873
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name7-pyrrolidin-1-yl-2,3,4,9-tetrahydrocarbazol-1-one
SMILESO=C1CCCc2c1[nH]c1cc(N3CCCC3)ccc21
InChIInChI=1S/C16H18N2O/c19-15-5-3-4-13-12-7-6-11(18-8-1-2-9-18)10-14(12)17-16(13)15/h6-7,10,17H,1-5,8-9H2
InChIKeyGAOFXFQVXJNESO-UHFFFAOYSA-N
XLogP3.29
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-pyrrolidin-1-yl-2,3,4,9-tetrahydrocarbazol-1-one?
The IUPAC name of 7-pyrrolidin-1-yl-2,3,4,9-tetrahydrocarbazol-1-one (CID 168514873) is 7-pyrrolidin-1-yl-2,3,4,9-tetrahydrocarbazol-1-one.
What is the SMILES notation for 7-pyrrolidin-1-yl-2,3,4,9-tetrahydrocarbazol-1-one?
The canonical SMILES for 7-pyrrolidin-1-yl-2,3,4,9-tetrahydrocarbazol-1-one is O=C1CCCc2c1[nH]c1cc(N3CCCC3)ccc21.
What is the InChIKey of 7-pyrrolidin-1-yl-2,3,4,9-tetrahydrocarbazol-1-one?
The InChIKey is GAOFXFQVXJNESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c19-15-5-3-4-13-12-7-6-11(18-8-1-2-9-18)10-14(12)17-16(13)15/h6-7,10,17H,1-5,8-9H2.
What are the key properties of 7-pyrrolidin-1-yl-2,3,4,9-tetrahydrocarbazol-1-one?
7-pyrrolidin-1-yl-2,3,4,9-tetrahydrocarbazol-1-one has a molecular weight of 254.33 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyrrolidin-1-yl-2,3,4,9-tetrahydrocarbazol-1-one is sourced from PubChem (CID 168514873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).