7,7-bis(morpholin-4-ylmethyl)cyclohept-2-en-1-one

C17H28N2O3 — CID 101419253

IUPAC7,7-bis(morpholin-4-ylmethyl)cyclohept-2-en-1-one
SMILESO=C1C=CCCCC1(CN1CCOCC1)CN1CCOCC1
InChIInChI=1S/C17H28N2O3/c20-16-4-2-1-3-5-17(16,14-18-6-10-21-11-7-18)15-19-8-12-22-13-9-19/h2,4H,1,3,5-15H2
InChIKeyDERGKDHJGPOBLS-UHFFFAOYSA-N
MW308.42 g/mol
LogP0.95
Rot. Bonds4

About 7,7-bis(morpholin-4-ylmethyl)cyclohept-2-en-1-one

7,7-bis(morpholin-4-ylmethyl)cyclohept-2-en-1-one (PubChem CID 101419253) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 7,7-bis(morpholin-4-ylmethyl)cyclohept-2-en-1-one.

Molecular Properties

Compound Name7,7-bis(morpholin-4-ylmethyl)cyclohept-2-en-1-one
PubChem CID101419253
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name7,7-bis(morpholin-4-ylmethyl)cyclohept-2-en-1-one
SMILESO=C1C=CCCCC1(CN1CCOCC1)CN1CCOCC1
InChIInChI=1S/C17H28N2O3/c20-16-4-2-1-3-5-17(16,14-18-6-10-21-11-7-18)15-19-8-12-22-13-9-19/h2,4H,1,3,5-15H2
InChIKeyDERGKDHJGPOBLS-UHFFFAOYSA-N
XLogP0.95
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,7-bis(morpholin-4-ylmethyl)cyclohept-2-en-1-one?
The IUPAC name of 7,7-bis(morpholin-4-ylmethyl)cyclohept-2-en-1-one (CID 101419253) is 7,7-bis(morpholin-4-ylmethyl)cyclohept-2-en-1-one.
What is the SMILES notation for 7,7-bis(morpholin-4-ylmethyl)cyclohept-2-en-1-one?
The canonical SMILES for 7,7-bis(morpholin-4-ylmethyl)cyclohept-2-en-1-one is O=C1C=CCCCC1(CN1CCOCC1)CN1CCOCC1.
What is the InChIKey of 7,7-bis(morpholin-4-ylmethyl)cyclohept-2-en-1-one?
The InChIKey is DERGKDHJGPOBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c20-16-4-2-1-3-5-17(16,14-18-6-10-21-11-7-18)15-19-8-12-22-13-9-19/h2,4H,1,3,5-15H2.
What are the key properties of 7,7-bis(morpholin-4-ylmethyl)cyclohept-2-en-1-one?
7,7-bis(morpholin-4-ylmethyl)cyclohept-2-en-1-one has a molecular weight of 308.42 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-bis(morpholin-4-ylmethyl)cyclohept-2-en-1-one is sourced from PubChem (CID 101419253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).