[(6S,7S)-3-chloro-6-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]methylcarbamic acid

C11H13ClN2O2 — CID 174191537

IUPAC[(6S,7S)-3-chloro-6-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]methylcarbamic acid
SMILESC[C@H]1Cc2cc(Cl)cnc2[C@@H]1CNC(=O)O
InChIInChI=1S/C11H13ClN2O2/c1-6-2-7-3-8(12)4-13-10(7)9(6)5-14-11(15)16/h3-4,6,9,14H,2,5H2,1H3,(H,15,16)/t6-,9+/m0/s1
InChIKeyFEPGOLAJVDTZCO-IMTBSYHQSA-N
MW240.69 g/mol
LogP2.28
Rot. Bonds2

About [(6S,7S)-3-chloro-6-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]methylcarbamic acid

[(6S,7S)-3-chloro-6-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]methylcarbamic acid (PubChem CID 174191537) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is [(6S,7S)-3-chloro-6-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]methylcarbamic acid.

Molecular Properties

Compound Name[(6S,7S)-3-chloro-6-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]methylcarbamic acid
PubChem CID174191537
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name[(6S,7S)-3-chloro-6-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]methylcarbamic acid
SMILESC[C@H]1Cc2cc(Cl)cnc2[C@@H]1CNC(=O)O
InChIInChI=1S/C11H13ClN2O2/c1-6-2-7-3-8(12)4-13-10(7)9(6)5-14-11(15)16/h3-4,6,9,14H,2,5H2,1H3,(H,15,16)/t6-,9+/m0/s1
InChIKeyFEPGOLAJVDTZCO-IMTBSYHQSA-N
XLogP2.28
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(6S,7S)-3-chloro-6-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]methylcarbamic acid?
The IUPAC name of [(6S,7S)-3-chloro-6-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]methylcarbamic acid (CID 174191537) is [(6S,7S)-3-chloro-6-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]methylcarbamic acid.
What is the SMILES notation for [(6S,7S)-3-chloro-6-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]methylcarbamic acid?
The canonical SMILES for [(6S,7S)-3-chloro-6-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]methylcarbamic acid is C[C@H]1Cc2cc(Cl)cnc2[C@@H]1CNC(=O)O.
What is the InChIKey of [(6S,7S)-3-chloro-6-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]methylcarbamic acid?
The InChIKey is FEPGOLAJVDTZCO-IMTBSYHQSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-6-2-7-3-8(12)4-13-10(7)9(6)5-14-11(15)16/h3-4,6,9,14H,2,5H2,1H3,(H,15,16)/t6-,9+/m0/s1.
What are the key properties of [(6S,7S)-3-chloro-6-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]methylcarbamic acid?
[(6S,7S)-3-chloro-6-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]methylcarbamic acid has a molecular weight of 240.69 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S,7S)-3-chloro-6-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]methylcarbamic acid is sourced from PubChem (CID 174191537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).