1-[2-[(2-hydroxycycloheptyl)amino]ethyl]pyridin-2-one

C14H22N2O2 — CID 113394711

IUPAC1-[2-[(2-hydroxycycloheptyl)amino]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCNC1CCCCCC1O
InChIInChI=1S/C14H22N2O2/c17-13-7-3-1-2-6-12(13)15-9-11-16-10-5-4-8-14(16)18/h4-5,8,10,12-13,15,17H,1-3,6-7,9,11H2
InChIKeySRPAXIVQYVUCOQ-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.13
Rot. Bonds4

About 1-[2-[(2-hydroxycycloheptyl)amino]ethyl]pyridin-2-one

1-[2-[(2-hydroxycycloheptyl)amino]ethyl]pyridin-2-one (PubChem CID 113394711) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[2-[(2-hydroxycycloheptyl)amino]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[(2-hydroxycycloheptyl)amino]ethyl]pyridin-2-one
PubChem CID113394711
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[2-[(2-hydroxycycloheptyl)amino]ethyl]pyridin-2-one
SMILESO=c1ccccn1CCNC1CCCCCC1O
InChIInChI=1S/C14H22N2O2/c17-13-7-3-1-2-6-12(13)15-9-11-16-10-5-4-8-14(16)18/h4-5,8,10,12-13,15,17H,1-3,6-7,9,11H2
InChIKeySRPAXIVQYVUCOQ-UHFFFAOYSA-N
XLogP1.13
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-hydroxycycloheptyl)amino]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[(2-hydroxycycloheptyl)amino]ethyl]pyridin-2-one (CID 113394711) is 1-[2-[(2-hydroxycycloheptyl)amino]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[(2-hydroxycycloheptyl)amino]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[(2-hydroxycycloheptyl)amino]ethyl]pyridin-2-one is O=c1ccccn1CCNC1CCCCCC1O.
What is the InChIKey of 1-[2-[(2-hydroxycycloheptyl)amino]ethyl]pyridin-2-one?
The InChIKey is SRPAXIVQYVUCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c17-13-7-3-1-2-6-12(13)15-9-11-16-10-5-4-8-14(16)18/h4-5,8,10,12-13,15,17H,1-3,6-7,9,11H2.
What are the key properties of 1-[2-[(2-hydroxycycloheptyl)amino]ethyl]pyridin-2-one?
1-[2-[(2-hydroxycycloheptyl)amino]ethyl]pyridin-2-one has a molecular weight of 250.34 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-hydroxycycloheptyl)amino]ethyl]pyridin-2-one is sourced from PubChem (CID 113394711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).