(2-aminocycloheptyl)-(3,4-dihydro-2H-pyran-6-yl)methanone

C13H21NO2 — CID 102648436

IUPAC(2-aminocycloheptyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESNC1CCCCCC1C(=O)C1=CCCCO1
InChIInChI=1S/C13H21NO2/c14-11-7-3-1-2-6-10(11)13(15)12-8-4-5-9-16-12/h8,10-11H,1-7,9,14H2
InChIKeyUYLTZIDBZRKICI-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.16
Rot. Bonds2

About (2-aminocycloheptyl)-(3,4-dihydro-2H-pyran-6-yl)methanone

(2-aminocycloheptyl)-(3,4-dihydro-2H-pyran-6-yl)methanone (PubChem CID 102648436) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (2-aminocycloheptyl)-(3,4-dihydro-2H-pyran-6-yl)methanone.

Molecular Properties

Compound Name(2-aminocycloheptyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
PubChem CID102648436
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(2-aminocycloheptyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESNC1CCCCCC1C(=O)C1=CCCCO1
InChIInChI=1S/C13H21NO2/c14-11-7-3-1-2-6-10(11)13(15)12-8-4-5-9-16-12/h8,10-11H,1-7,9,14H2
InChIKeyUYLTZIDBZRKICI-UHFFFAOYSA-N
XLogP2.16
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2-aminocycloheptyl)-(3,4-dihydro-2H-pyran-6-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-aminocycloheptyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The IUPAC name of (2-aminocycloheptyl)-(3,4-dihydro-2H-pyran-6-yl)methanone (CID 102648436) is (2-aminocycloheptyl)-(3,4-dihydro-2H-pyran-6-yl)methanone.
What is the SMILES notation for (2-aminocycloheptyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The canonical SMILES for (2-aminocycloheptyl)-(3,4-dihydro-2H-pyran-6-yl)methanone is NC1CCCCCC1C(=O)C1=CCCCO1.
What is the InChIKey of (2-aminocycloheptyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The InChIKey is UYLTZIDBZRKICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c14-11-7-3-1-2-6-10(11)13(15)12-8-4-5-9-16-12/h8,10-11H,1-7,9,14H2.
What are the key properties of (2-aminocycloheptyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
(2-aminocycloheptyl)-(3,4-dihydro-2H-pyran-6-yl)methanone has a molecular weight of 223.32 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocycloheptyl)-(3,4-dihydro-2H-pyran-6-yl)methanone is sourced from PubChem (CID 102648436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).