(3-chloro-1-adamantyl)-morpholin-4-ylmethanone

C15H22ClNO2 — CID 2836077

IUPAC(3-chloro-1-adamantyl)-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)C12CC3CC(CC(Cl)(C3)C1)C2
InChIInChI=1S/C15H22ClNO2/c16-15-8-11-5-12(9-15)7-14(6-11,10-15)13(18)17-1-3-19-4-2-17/h11-12H,1-10H2
InChIKeyCESVVADNQWIQSU-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.42
Rot. Bonds1

About (3-chloro-1-adamantyl)-morpholin-4-ylmethanone

(3-chloro-1-adamantyl)-morpholin-4-ylmethanone (PubChem CID 2836077) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is (3-chloro-1-adamantyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(3-chloro-1-adamantyl)-morpholin-4-ylmethanone
PubChem CID2836077
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name(3-chloro-1-adamantyl)-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)C12CC3CC(CC(Cl)(C3)C1)C2
InChIInChI=1S/C15H22ClNO2/c16-15-8-11-5-12(9-15)7-14(6-11,10-15)13(18)17-1-3-19-4-2-17/h11-12H,1-10H2
InChIKeyCESVVADNQWIQSU-UHFFFAOYSA-N
XLogP2.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-1-adamantyl)-morpholin-4-ylmethanone?
The IUPAC name of (3-chloro-1-adamantyl)-morpholin-4-ylmethanone (CID 2836077) is (3-chloro-1-adamantyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (3-chloro-1-adamantyl)-morpholin-4-ylmethanone?
The canonical SMILES for (3-chloro-1-adamantyl)-morpholin-4-ylmethanone is O=C(N1CCOCC1)C12CC3CC(CC(Cl)(C3)C1)C2.
What is the InChIKey of (3-chloro-1-adamantyl)-morpholin-4-ylmethanone?
The InChIKey is CESVVADNQWIQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c16-15-8-11-5-12(9-15)7-14(6-11,10-15)13(18)17-1-3-19-4-2-17/h11-12H,1-10H2.
What are the key properties of (3-chloro-1-adamantyl)-morpholin-4-ylmethanone?
(3-chloro-1-adamantyl)-morpholin-4-ylmethanone has a molecular weight of 283.80 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-1-adamantyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 2836077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).