(1-aminocyclopropyl)-(3-methoxyphenyl)methanone

C11H13NO2 — CID 116576589

IUPAC(1-aminocyclopropyl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)C2(N)CC2)c1
InChIInChI=1S/C11H13NO2/c1-14-9-4-2-3-8(7-9)10(13)11(12)5-6-11/h2-4,7H,5-6,12H2,1H3
InChIKeyPSEHDXHYCTZUSF-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.37
Rot. Bonds3

About (1-aminocyclopropyl)-(3-methoxyphenyl)methanone

(1-aminocyclopropyl)-(3-methoxyphenyl)methanone (PubChem CID 116576589) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (1-aminocyclopropyl)-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-(3-methoxyphenyl)methanone
PubChem CID116576589
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(1-aminocyclopropyl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)C2(N)CC2)c1
InChIInChI=1S/C11H13NO2/c1-14-9-4-2-3-8(7-9)10(13)11(12)5-6-11/h2-4,7H,5-6,12H2,1H3
InChIKeyPSEHDXHYCTZUSF-UHFFFAOYSA-N
XLogP1.37
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclohexyl)-(3-propan-2-yloxyphenyl)methanone
CID 116550565
[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(3-methoxyphenyl)methanone;hydrochloride
CID 119291542
(1-aminocyclopropyl)-(5-methoxy-3-pyridinyl)methanone
CID 116576579
(1-aminocyclobutyl)-(3-cyclopropyloxyphenyl)methanone
CID 114523853
(1-aminocyclobutyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116598545
1-(3-methoxyphenyl)-2-naphthalen-2-ylethane-1,2-dione
CID 170457473
2-(3-methoxyphenyl)-2-oxoacetamide
CID 116924501
(1-aminocyclopropyl)-(2,6-dimethoxyphenyl)methanone
CID 116811529
(1-aminocyclobutyl)-(3-methylphenyl)methanone
CID 116598453
cyclopropyl-(3-methoxyphenyl)methanone
CID 12634433
1-amino-N-(3-methoxyphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119261882
2-chloro-1-(3-methoxyphenyl)prop-2-en-1-one
CID 23624440

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-(3-methoxyphenyl)methanone?
The IUPAC name of (1-aminocyclopropyl)-(3-methoxyphenyl)methanone (CID 116576589) is (1-aminocyclopropyl)-(3-methoxyphenyl)methanone.
What is the SMILES notation for (1-aminocyclopropyl)-(3-methoxyphenyl)methanone?
The canonical SMILES for (1-aminocyclopropyl)-(3-methoxyphenyl)methanone is COc1cccc(C(=O)C2(N)CC2)c1.
What is the InChIKey of (1-aminocyclopropyl)-(3-methoxyphenyl)methanone?
The InChIKey is PSEHDXHYCTZUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-14-9-4-2-3-8(7-9)10(13)11(12)5-6-11/h2-4,7H,5-6,12H2,1H3.
What are the key properties of (1-aminocyclopropyl)-(3-methoxyphenyl)methanone?
(1-aminocyclopropyl)-(3-methoxyphenyl)methanone has a molecular weight of 191.23 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-(3-methoxyphenyl)methanone is sourced from PubChem (CID 116576589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).