(9E)-6-propyl-3,4-dihydro-1H-cycloocta[b]pyridin-2-one

C14H17NO — CID 174064443

IUPAC(9E)-6-propyl-3,4-dihydro-1H-cycloocta[b]pyridin-2-one
SMILESCCCC1=CC2=C(/C=C\C=C1)NC(=O)CC2
InChIInChI=1S/C14H17NO/c1-2-5-11-6-3-4-7-13-12(10-11)8-9-14(16)15-13/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,15,16)/b4-3?,6-3?,7-4-,11-6?,11-10?,12-10?,13-7+
InChIKeyCASMWZZIQDLZLW-YZHRWZJRSA-N
MW215.30 g/mol
LogP3.00
Rot. Bonds2

About (9E)-6-propyl-3,4-dihydro-1H-cycloocta[b]pyridin-2-one

(9E)-6-propyl-3,4-dihydro-1H-cycloocta[b]pyridin-2-one (PubChem CID 174064443) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is (9E)-6-propyl-3,4-dihydro-1H-cycloocta[b]pyridin-2-one.

Molecular Properties

Compound Name(9E)-6-propyl-3,4-dihydro-1H-cycloocta[b]pyridin-2-one
PubChem CID174064443
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name(9E)-6-propyl-3,4-dihydro-1H-cycloocta[b]pyridin-2-one
SMILESCCCC1=CC2=C(/C=C\C=C1)NC(=O)CC2
InChIInChI=1S/C14H17NO/c1-2-5-11-6-3-4-7-13-12(10-11)8-9-14(16)15-13/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,15,16)/b4-3?,6-3?,7-4-,11-6?,11-10?,12-10?,13-7+
InChIKeyCASMWZZIQDLZLW-YZHRWZJRSA-N
XLogP3.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (9E)-6-propyl-3,4-dihydro-1H-cycloocta[b]pyridin-2-one?
The IUPAC name of (9E)-6-propyl-3,4-dihydro-1H-cycloocta[b]pyridin-2-one (CID 174064443) is (9E)-6-propyl-3,4-dihydro-1H-cycloocta[b]pyridin-2-one.
What is the SMILES notation for (9E)-6-propyl-3,4-dihydro-1H-cycloocta[b]pyridin-2-one?
The canonical SMILES for (9E)-6-propyl-3,4-dihydro-1H-cycloocta[b]pyridin-2-one is CCCC1=CC2=C(/C=C\C=C1)NC(=O)CC2.
What is the InChIKey of (9E)-6-propyl-3,4-dihydro-1H-cycloocta[b]pyridin-2-one?
The InChIKey is CASMWZZIQDLZLW-YZHRWZJRSA-N. The full InChI is InChI=1S/C14H17NO/c1-2-5-11-6-3-4-7-13-12(10-11)8-9-14(16)15-13/h3-4,6-7,10H,2,5,8-9H2,1H3,(H,15,16)/b4-3?,6-3?,7-4-,11-6?,11-10?,12-10?,13-7+.
What are the key properties of (9E)-6-propyl-3,4-dihydro-1H-cycloocta[b]pyridin-2-one?
(9E)-6-propyl-3,4-dihydro-1H-cycloocta[b]pyridin-2-one has a molecular weight of 215.30 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9E)-6-propyl-3,4-dihydro-1H-cycloocta[b]pyridin-2-one is sourced from PubChem (CID 174064443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).