(4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[c]pyridine

C10H19N — CID 92720083

IUPAC(4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[c]pyridine
SMILESC1CC[C@@H]2CCNC[C@@H]2CC1
InChIInChI=1S/C10H19N/c1-2-4-9-6-7-11-8-10(9)5-3-1/h9-11H,1-8H2/t9-,10+/m1/s1
InChIKeyVDDWAXBJERNDGR-ZJUUUORDSA-N
MW153.27 g/mol
LogP2.18
Rot. Bonds

About (4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[c]pyridine

(4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[c]pyridine (PubChem CID 92720083) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[c]pyridine.

Molecular Properties

Compound Name(4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[c]pyridine
PubChem CID92720083
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[c]pyridine
SMILESC1CC[C@@H]2CCNC[C@@H]2CC1
InChIInChI=1S/C10H19N/c1-2-4-9-6-7-11-8-10(9)5-3-1/h9-11H,1-8H2/t9-,10+/m1/s1
InChIKeyVDDWAXBJERNDGR-ZJUUUORDSA-N
XLogP2.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[c]pyridine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[c]pyridine?
The IUPAC name of (4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[c]pyridine (CID 92720083) is (4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[c]pyridine.
What is the SMILES notation for (4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[c]pyridine?
The canonical SMILES for (4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[c]pyridine is C1CC[C@@H]2CCNC[C@@H]2CC1.
What is the InChIKey of (4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[c]pyridine?
The InChIKey is VDDWAXBJERNDGR-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H19N/c1-2-4-9-6-7-11-8-10(9)5-3-1/h9-11H,1-8H2/t9-,10+/m1/s1.
What are the key properties of (4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[c]pyridine?
(4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[c]pyridine has a molecular weight of 153.27 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,9aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[c]pyridine is sourced from PubChem (CID 92720083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).