CID 59417753

C9H15NO2 — CID 59417753

IUPAC—
SMILES[CH]N1CCCCC1C(=O)OCC
InChIInChI=1S/C9H15NO2/c1-3-12-9(11)8-6-4-5-7-10(8)2/h2,8H,3-7H2,1H3
InChIKeyIXNPTVFKENTCTP-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.07
Rot. Bonds2

About CID 59417753

CID 59417753 (PubChem CID 59417753) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol.

Molecular Properties

Compound NameCID 59417753
PubChem CID59417753
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name—
SMILES[CH]N1CCCCC1C(=O)OCC
InChIInChI=1S/C9H15NO2/c1-3-12-9(11)8-6-4-5-7-10(8)2/h2,8H,3-7H2,1H3
InChIKeyIXNPTVFKENTCTP-UHFFFAOYSA-N
XLogP1.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (2R)-1-chloropiperidine-2-carboxylate
CID 124514605
ethyl 1-(pyrrolidine-1-carbonyl)piperidine-2-carboxylate
CID 113331358
ethyl 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-4-carboxylate
CID 68891069
ethyl (2S)-1-chlorosulfonylpiperidine-2-carboxylate
CID 59049637
ethyl (2R)-1-prop-2-enoylpiperidine-2-carboxylate
CID 121255112
ethyl (2R)-1-[2-(diethylamino)-2-oxoethyl]piperidine-2-carboxylate
CID 94822878
ethyl 1-(2,3-dimethylbutanoyl)piperidine-2-carboxylate
CID 78958335
ethyl 1-(cyclopent-3-ene-1-carbonyl)piperidine-2-carboxylate
CID 79002856
ethyl 1-propanoylpyrrolidine-2-carboxylate
CID 11845503
ethyl 1-(2-cyclopentylacetyl)pyrrolidine-2-carboxylate
CID 55005769
ethyl 1-(2-methoxypropanoyl)piperidine-2-carboxylate
CID 112688316
ethyl 1-(2-aminocyclohexanecarbonyl)piperidine-2-carboxylate
CID 64824198

Frequently Asked Questions

What is the IUPAC name of CID 59417753?
The IUPAC name of CID 59417753 (CID 59417753) is not available.
What is the SMILES notation for CID 59417753?
The canonical SMILES for CID 59417753 is [CH]N1CCCCC1C(=O)OCC.
What is the InChIKey of CID 59417753?
The InChIKey is IXNPTVFKENTCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-12-9(11)8-6-4-5-7-10(8)2/h2,8H,3-7H2,1H3.
What are the key properties of CID 59417753?
CID 59417753 has a molecular weight of 169.22 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59417753 is sourced from PubChem (CID 59417753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).