6-oxo-N-pyrrolidin-3-ylspiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxamide

C20H23N3O2 — CID 71276412

IUPAC6-oxo-N-pyrrolidin-3-ylspiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxamide
SMILESO=C(NC1CCNC1)c1ccc2[nH]c3c(c2c1)C1(CCCC3=O)CC1
InChIInChI=1S/C20H23N3O2/c24-16-2-1-6-20(7-8-20)17-14-10-12(3-4-15(14)23-18(16)17)19(25)22-13-5-9-21-11-13/h3-4,10,13,21,23H,1-2,5-9,11H2,(H,22,25)
InChIKeyIUDWYDYLDVSPRM-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.66
Rot. Bonds2

About 6-oxo-N-pyrrolidin-3-ylspiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxamide

6-oxo-N-pyrrolidin-3-ylspiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxamide (PubChem CID 71276412) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 6-oxo-N-pyrrolidin-3-ylspiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxamide.

Molecular Properties

Compound Name6-oxo-N-pyrrolidin-3-ylspiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxamide
PubChem CID71276412
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name6-oxo-N-pyrrolidin-3-ylspiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxamide
SMILESO=C(NC1CCNC1)c1ccc2[nH]c3c(c2c1)C1(CCCC3=O)CC1
InChIInChI=1S/C20H23N3O2/c24-16-2-1-6-20(7-8-20)17-14-10-12(3-4-15(14)23-18(16)17)19(25)22-13-5-9-21-11-13/h3-4,10,13,21,23H,1-2,5-9,11H2,(H,22,25)
InChIKeyIUDWYDYLDVSPRM-UHFFFAOYSA-N
XLogP2.66
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-pyrrolidin-3-ylspiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxamide?
The IUPAC name of 6-oxo-N-pyrrolidin-3-ylspiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxamide (CID 71276412) is 6-oxo-N-pyrrolidin-3-ylspiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxamide.
What is the SMILES notation for 6-oxo-N-pyrrolidin-3-ylspiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxamide?
The canonical SMILES for 6-oxo-N-pyrrolidin-3-ylspiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxamide is O=C(NC1CCNC1)c1ccc2[nH]c3c(c2c1)C1(CCCC3=O)CC1.
What is the InChIKey of 6-oxo-N-pyrrolidin-3-ylspiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxamide?
The InChIKey is IUDWYDYLDVSPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c24-16-2-1-6-20(7-8-20)17-14-10-12(3-4-15(14)23-18(16)17)19(25)22-13-5-9-21-11-13/h3-4,10,13,21,23H,1-2,5-9,11H2,(H,22,25).
What are the key properties of 6-oxo-N-pyrrolidin-3-ylspiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxamide?
6-oxo-N-pyrrolidin-3-ylspiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.66, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-pyrrolidin-3-ylspiro[5,7,8,9-tetrahydrocyclohepta[b]indole-10,1'-cyclopropane]-2-carboxamide is sourced from PubChem (CID 71276412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).