(2-aminocyclopenten-1-yl)-(3,5-dimethoxyphenyl)methanone

C14H17NO3 — CID 71069764

IUPAC(2-aminocyclopenten-1-yl)-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)C2=C(N)CCC2)c1
InChIInChI=1S/C14H17NO3/c1-17-10-6-9(7-11(8-10)18-2)14(16)12-4-3-5-13(12)15/h6-8H,3-5,15H2,1-2H3
InChIKeyHBGWZODIDPGJEW-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.28
Rot. Bonds4

About (2-aminocyclopenten-1-yl)-(3,5-dimethoxyphenyl)methanone

(2-aminocyclopenten-1-yl)-(3,5-dimethoxyphenyl)methanone (PubChem CID 71069764) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is (2-aminocyclopenten-1-yl)-(3,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-aminocyclopenten-1-yl)-(3,5-dimethoxyphenyl)methanone
PubChem CID71069764
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name(2-aminocyclopenten-1-yl)-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)C2=C(N)CCC2)c1
InChIInChI=1S/C14H17NO3/c1-17-10-6-9(7-11(8-10)18-2)14(16)12-4-3-5-13(12)15/h6-8H,3-5,15H2,1-2H3
InChIKeyHBGWZODIDPGJEW-UHFFFAOYSA-N
XLogP2.28
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethoxybenzoyl)cyclohexene-1-carboxylic acid
CID 146004393
1,3,5-trimethoxybenzene;urea
CID 174919725
(2,6-dichlorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 112694085
(2-chlorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 24723148
3,5-dimethoxybenzoyl fluoride
CID 102051744
1-(3,5-dimethoxyphenyl)ethanone;ethane
CID 142226820
(5-amino-2-pyridinyl)-(3,5-dimethoxyphenyl)methanone
CID 116605219
cyclopentyl 3,5-dimethoxybenzenecarboperoxoate
CID 173267647
(3,5-dimethoxyphenyl)-(4-iodophenyl)methanone
CID 24723154
[1-(aminomethyl)cyclopentyl]-(3,5-dimethoxyphenyl)methanone
CID 116600946
lithium 3,5-dimethoxybenzoate
CID 19205782
propyl 3,5-dimethoxybenzenecarboperoxoate
CID 173266062

Frequently Asked Questions

What is the IUPAC name of (2-aminocyclopenten-1-yl)-(3,5-dimethoxyphenyl)methanone?
The IUPAC name of (2-aminocyclopenten-1-yl)-(3,5-dimethoxyphenyl)methanone (CID 71069764) is (2-aminocyclopenten-1-yl)-(3,5-dimethoxyphenyl)methanone.
What is the SMILES notation for (2-aminocyclopenten-1-yl)-(3,5-dimethoxyphenyl)methanone?
The canonical SMILES for (2-aminocyclopenten-1-yl)-(3,5-dimethoxyphenyl)methanone is COc1cc(OC)cc(C(=O)C2=C(N)CCC2)c1.
What is the InChIKey of (2-aminocyclopenten-1-yl)-(3,5-dimethoxyphenyl)methanone?
The InChIKey is HBGWZODIDPGJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-17-10-6-9(7-11(8-10)18-2)14(16)12-4-3-5-13(12)15/h6-8H,3-5,15H2,1-2H3.
What are the key properties of (2-aminocyclopenten-1-yl)-(3,5-dimethoxyphenyl)methanone?
(2-aminocyclopenten-1-yl)-(3,5-dimethoxyphenyl)methanone has a molecular weight of 247.29 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminocyclopenten-1-yl)-(3,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 71069764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).