(4-aminocyclohexyl)-(oxolan-3-yl)methanone

C11H19NO2 — CID 116557261

IUPAC(4-aminocyclohexyl)-(oxolan-3-yl)methanone
SMILESNC1CCC(C(=O)C2CCOC2)CC1
InChIInChI=1S/C11H19NO2/c12-10-3-1-8(2-4-10)11(13)9-5-6-14-7-9/h8-10H,1-7,12H2
InChIKeyKHZCKSGSDUEZAJ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.11
Rot. Bonds2

About (4-aminocyclohexyl)-(oxolan-3-yl)methanone

(4-aminocyclohexyl)-(oxolan-3-yl)methanone (PubChem CID 116557261) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (4-aminocyclohexyl)-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name(4-aminocyclohexyl)-(oxolan-3-yl)methanone
PubChem CID116557261
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(4-aminocyclohexyl)-(oxolan-3-yl)methanone
SMILESNC1CCC(C(=O)C2CCOC2)CC1
InChIInChI=1S/C11H19NO2/c12-10-3-1-8(2-4-10)11(13)9-5-6-14-7-9/h8-10H,1-7,12H2
InChIKeyKHZCKSGSDUEZAJ-UHFFFAOYSA-N
XLogP1.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cycloheptyl(oxolan-3-yl)methanone
CID 65399453
oxolan-3-yl-[4-(trifluoromethyl)cyclohexyl]methanone
CID 105099768
(3S)-oxolane-3-carboxamide
CID 67048684
oxolan-3-yl(pyrrolidin-3-yl)methanone
CID 116568253
cyclobutyl(oxan-4-yl)methanone
CID 64982352
bis(oxetan-3-yl)methanone
CID 151302953
[3-(4-aminopiperidin-1-yl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone
CID 80553762
(3-aminooxolan-3-yl)-(oxolan-3-yl)methanone
CID 116579508
(2-aminocyclopentyl)-(oxan-3-yl)methanone
CID 107138398
3-amino-N-methyl-N-(oxolan-3-yl)cyclopentane-1-carboxamide
CID 81489575
2-methyl-1-[(3S)-oxolan-3-yl]propan-1-one
CID 58423021
(4-aminopiperidin-1-yl)-(oxan-3-yl)methanone
CID 62760326

Frequently Asked Questions

What is the IUPAC name of (4-aminocyclohexyl)-(oxolan-3-yl)methanone?
The IUPAC name of (4-aminocyclohexyl)-(oxolan-3-yl)methanone (CID 116557261) is (4-aminocyclohexyl)-(oxolan-3-yl)methanone.
What is the SMILES notation for (4-aminocyclohexyl)-(oxolan-3-yl)methanone?
The canonical SMILES for (4-aminocyclohexyl)-(oxolan-3-yl)methanone is NC1CCC(C(=O)C2CCOC2)CC1.
What is the InChIKey of (4-aminocyclohexyl)-(oxolan-3-yl)methanone?
The InChIKey is KHZCKSGSDUEZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c12-10-3-1-8(2-4-10)11(13)9-5-6-14-7-9/h8-10H,1-7,12H2.
What are the key properties of (4-aminocyclohexyl)-(oxolan-3-yl)methanone?
(4-aminocyclohexyl)-(oxolan-3-yl)methanone has a molecular weight of 197.28 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclohexyl)-(oxolan-3-yl)methanone is sourced from PubChem (CID 116557261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).