(5E)-3-hydroxy-5-prop-2-enylidene-2,3,4,6,7,8-hexahydrocyclopenta[c]azepin-1-one

C12H15NO2 — CID 170057913

IUPAC(5E)-3-hydroxy-5-prop-2-enylidene-2,3,4,6,7,8-hexahydrocyclopenta[c]azepin-1-one
SMILESC=C/C=C1\CC(O)NC(=O)C2=C1CCC2
InChIInChI=1S/C12H15NO2/c1-2-4-8-7-11(14)13-12(15)10-6-3-5-9(8)10/h2,4,11,14H,1,3,5-7H2,(H,13,15)/b8-4+
InChIKeyQQHGXHKVQFUHPO-XBXARRHUSA-N
MW205.26 g/mol
LogP1.42
Rot. Bonds1

About (5E)-3-hydroxy-5-prop-2-enylidene-2,3,4,6,7,8-hexahydrocyclopenta[c]azepin-1-one

(5E)-3-hydroxy-5-prop-2-enylidene-2,3,4,6,7,8-hexahydrocyclopenta[c]azepin-1-one (PubChem CID 170057913) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (5E)-3-hydroxy-5-prop-2-enylidene-2,3,4,6,7,8-hexahydrocyclopenta[c]azepin-1-one.

Molecular Properties

Compound Name(5E)-3-hydroxy-5-prop-2-enylidene-2,3,4,6,7,8-hexahydrocyclopenta[c]azepin-1-one
PubChem CID170057913
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(5E)-3-hydroxy-5-prop-2-enylidene-2,3,4,6,7,8-hexahydrocyclopenta[c]azepin-1-one
SMILESC=C/C=C1\CC(O)NC(=O)C2=C1CCC2
InChIInChI=1S/C12H15NO2/c1-2-4-8-7-11(14)13-12(15)10-6-3-5-9(8)10/h2,4,11,14H,1,3,5-7H2,(H,13,15)/b8-4+
InChIKeyQQHGXHKVQFUHPO-XBXARRHUSA-N
XLogP1.42
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5E)-3-hydroxy-5-prop-2-enylidene-2,3,4,6,7,8-hexahydrocyclopenta[c]azepin-1-one?
The IUPAC name of (5E)-3-hydroxy-5-prop-2-enylidene-2,3,4,6,7,8-hexahydrocyclopenta[c]azepin-1-one (CID 170057913) is (5E)-3-hydroxy-5-prop-2-enylidene-2,3,4,6,7,8-hexahydrocyclopenta[c]azepin-1-one.
What is the SMILES notation for (5E)-3-hydroxy-5-prop-2-enylidene-2,3,4,6,7,8-hexahydrocyclopenta[c]azepin-1-one?
The canonical SMILES for (5E)-3-hydroxy-5-prop-2-enylidene-2,3,4,6,7,8-hexahydrocyclopenta[c]azepin-1-one is C=C/C=C1\CC(O)NC(=O)C2=C1CCC2.
What is the InChIKey of (5E)-3-hydroxy-5-prop-2-enylidene-2,3,4,6,7,8-hexahydrocyclopenta[c]azepin-1-one?
The InChIKey is QQHGXHKVQFUHPO-XBXARRHUSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-4-8-7-11(14)13-12(15)10-6-3-5-9(8)10/h2,4,11,14H,1,3,5-7H2,(H,13,15)/b8-4+.
What are the key properties of (5E)-3-hydroxy-5-prop-2-enylidene-2,3,4,6,7,8-hexahydrocyclopenta[c]azepin-1-one?
(5E)-3-hydroxy-5-prop-2-enylidene-2,3,4,6,7,8-hexahydrocyclopenta[c]azepin-1-one has a molecular weight of 205.26 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-hydroxy-5-prop-2-enylidene-2,3,4,6,7,8-hexahydrocyclopenta[c]azepin-1-one is sourced from PubChem (CID 170057913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).