8-[(5S)-5-aminocyclohexen-1-yl]-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide

C18H20FN3O — CID 156888365

IUPAC8-[(5S)-5-aminocyclohexen-1-yl]-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide
SMILESNC(=O)c1cc(F)c(C2=CCC[C@H](N)C2)c2c3c([nH]c12)CCC3
InChIInChI=1S/C18H20FN3O/c19-13-8-12(18(21)23)17-16(11-5-2-6-14(11)22-17)15(13)9-3-1-4-10(20)7-9/h3,8,10,22H,1-2,4-7,20H2,(H2,21,23)/t10-/m0/s1
InChIKeyIGRUFIQIQYUFOB-JTQLQIEISA-N
MW313.38 g/mol
LogP2.79
Rot. Bonds2

About 8-[(5S)-5-aminocyclohexen-1-yl]-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide

8-[(5S)-5-aminocyclohexen-1-yl]-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide (PubChem CID 156888365) has the molecular formula C18H20FN3O and a molecular weight of 313.38 g/mol. Its IUPAC name is 8-[(5S)-5-aminocyclohexen-1-yl]-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide.

Molecular Properties

Compound Name8-[(5S)-5-aminocyclohexen-1-yl]-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide
PubChem CID156888365
Molecular FormulaC18H20FN3O
Molecular Weight313.38 g/mol
Exact Mass313.16
IUPAC Name8-[(5S)-5-aminocyclohexen-1-yl]-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide
SMILESNC(=O)c1cc(F)c(C2=CCC[C@H](N)C2)c2c3c([nH]c12)CCC3
InChIInChI=1S/C18H20FN3O/c19-13-8-12(18(21)23)17-16(11-5-2-6-14(11)22-17)15(13)9-3-1-4-10(20)7-9/h3,8,10,22H,1-2,4-7,20H2,(H2,21,23)/t10-/m0/s1
InChIKeyIGRUFIQIQYUFOB-JTQLQIEISA-N
XLogP2.79
TPSA84.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-[(5S)-5-aminocyclohexen-1-yl]-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide?
The IUPAC name of 8-[(5S)-5-aminocyclohexen-1-yl]-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide (CID 156888365) is 8-[(5S)-5-aminocyclohexen-1-yl]-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide.
What is the SMILES notation for 8-[(5S)-5-aminocyclohexen-1-yl]-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide?
The canonical SMILES for 8-[(5S)-5-aminocyclohexen-1-yl]-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide is NC(=O)c1cc(F)c(C2=CCC[C@H](N)C2)c2c3c([nH]c12)CCC3.
What is the InChIKey of 8-[(5S)-5-aminocyclohexen-1-yl]-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide?
The InChIKey is IGRUFIQIQYUFOB-JTQLQIEISA-N. The full InChI is InChI=1S/C18H20FN3O/c19-13-8-12(18(21)23)17-16(11-5-2-6-14(11)22-17)15(13)9-3-1-4-10(20)7-9/h3,8,10,22H,1-2,4-7,20H2,(H2,21,23)/t10-/m0/s1.
What are the key properties of 8-[(5S)-5-aminocyclohexen-1-yl]-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide?
8-[(5S)-5-aminocyclohexen-1-yl]-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide has a molecular weight of 313.38 g/mol, XLogP of 2.79, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5S)-5-aminocyclohexen-1-yl]-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide is sourced from PubChem (CID 156888365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).