(3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone

C11H14N2O2 — CID 62067516

IUPAC(3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone
SMILESNC1CCN(C(=O)c2ccc(O)cc2)C1
InChIInChI=1S/C11H14N2O2/c12-9-5-6-13(7-9)11(15)8-1-3-10(14)4-2-8/h1-4,9,14H,5-7,12H2
InChIKeyVAUMMKDLNLTOLL-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.57
Rot. Bonds1

About (3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone

(3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone (PubChem CID 62067516) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone
PubChem CID62067516
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name(3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone
SMILESNC1CCN(C(=O)c2ccc(O)cc2)C1
InChIInChI=1S/C11H14N2O2/c12-9-5-6-13(7-9)11(15)8-1-3-10(14)4-2-8/h1-4,9,14H,5-7,12H2
InChIKeyVAUMMKDLNLTOLL-UHFFFAOYSA-N
XLogP0.57
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone
CID 59657899
(3-aminopyrrolidin-1-yl)-(3,4-dihydroxyphenyl)methanone
CID 107727512
[(3R)-3-aminopyrrolidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705169
[(3S)-3-aminopyrrolidin-1-yl]-[4-(4-chlorophenyl)phenyl]methanone
CID 175436371
[(3R)-3-aminopyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 119409702
[(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylphenyl)methanone;hydrochloride
CID 119413093
(3-aminopyrrolidin-1-yl)-(3,4-dichlorophenyl)methanone
CID 59657843
[(3R)-3-aminopyrrolidin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone
CID 119413263
(3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone
CID 62068283
[(3S)-3-aminopyrrolidin-1-yl]-[4-(trifluoromethylsulfonyl)phenyl]methanone
CID 124574517
5-[(3R)-3-aminopyrrolidine-1-carbonyl]pyran-2-one
CID 94339974
(3-aminopyrrolidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119483089

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone?
The IUPAC name of (3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone (CID 62067516) is (3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone is NC1CCN(C(=O)c2ccc(O)cc2)C1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone?
The InChIKey is VAUMMKDLNLTOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c12-9-5-6-13(7-9)11(15)8-1-3-10(14)4-2-8/h1-4,9,14H,5-7,12H2.
What are the key properties of (3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone?
(3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone has a molecular weight of 206.25 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 62067516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).