(2,4-diaminophenyl)-pyrrolidin-1-ylmethanone

C11H15N3O — CID 61091444

IUPAC(2,4-diaminophenyl)-pyrrolidin-1-ylmethanone
SMILESNc1ccc(C(=O)N2CCCC2)c(N)c1
InChIInChI=1S/C11H15N3O/c12-8-3-4-9(10(13)7-8)11(15)14-5-1-2-6-14/h3-4,7H,1-2,5-6,12-13H2
InChIKeyKDIOIOHISDRDHN-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.09
Rot. Bonds1

About (2,4-diaminophenyl)-pyrrolidin-1-ylmethanone

(2,4-diaminophenyl)-pyrrolidin-1-ylmethanone (PubChem CID 61091444) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is (2,4-diaminophenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2,4-diaminophenyl)-pyrrolidin-1-ylmethanone
PubChem CID61091444
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name(2,4-diaminophenyl)-pyrrolidin-1-ylmethanone
SMILESNc1ccc(C(=O)N2CCCC2)c(N)c1
InChIInChI=1S/C11H15N3O/c12-8-3-4-9(10(13)7-8)11(15)14-5-1-2-6-14/h3-4,7H,1-2,5-6,12-13H2
InChIKeyKDIOIOHISDRDHN-UHFFFAOYSA-N
XLogP1.09
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2,4-diaminophenyl)-(4,4-dimethylpiperidin-1-yl)methanone
CID 62935991
(2-amino-4-fluorophenyl)-(azocan-1-yl)methanone
CID 55139020
(2-amino-4-bromophenyl)-(azepan-1-yl)methanone
CID 69071535
4-(2,4-diaminobenzoyl)-N,N-dimethylpiperazine-1-carboxamide
CID 61108425
(2,4-diaminophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103504947
(4-amino-2-methylphenyl)-(azetidin-1-yl)methanone
CID 130546505
ethyl 1-(2,4-diaminobenzoyl)piperidine-4-carboxylate
CID 61116886
1-[4-(2,4-diaminobenzoyl)piperazin-1-yl]-2-methoxyethanone
CID 61110043
1-(2,4-diaminobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 61110315
(2-amino-4-pyrrol-1-ylphenyl)-piperidin-1-ylmethanone
CID 68831188
(2-aminophenyl)-piperidin-1-ylmethanone
CID 558730
(2-aminophenyl)-(azepan-1-yl)methanone
CID 726247

Frequently Asked Questions

What is the IUPAC name of (2,4-diaminophenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2,4-diaminophenyl)-pyrrolidin-1-ylmethanone (CID 61091444) is (2,4-diaminophenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2,4-diaminophenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2,4-diaminophenyl)-pyrrolidin-1-ylmethanone is Nc1ccc(C(=O)N2CCCC2)c(N)c1.
What is the InChIKey of (2,4-diaminophenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is KDIOIOHISDRDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c12-8-3-4-9(10(13)7-8)11(15)14-5-1-2-6-14/h3-4,7H,1-2,5-6,12-13H2.
What are the key properties of (2,4-diaminophenyl)-pyrrolidin-1-ylmethanone?
(2,4-diaminophenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 205.26 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-diaminophenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 61091444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).