1-(4-amino-1H-pyrrole-2-carbonyl)-1,4-diazepan-5-one

C10H14N4O2 — CID 63004263

IUPAC1-(4-amino-1H-pyrrole-2-carbonyl)-1,4-diazepan-5-one
SMILESNc1c[nH]c(C(=O)N2CCNC(=O)CC2)c1
InChIInChI=1S/C10H14N4O2/c11-7-5-8(13-6-7)10(16)14-3-1-9(15)12-2-4-14/h5-6,13H,1-4,11H2,(H,12,15)
InChIKeyULZKCGQONKSHCL-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.44
Rot. Bonds1

About 1-(4-amino-1H-pyrrole-2-carbonyl)-1,4-diazepan-5-one

1-(4-amino-1H-pyrrole-2-carbonyl)-1,4-diazepan-5-one (PubChem CID 63004263) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-(4-amino-1H-pyrrole-2-carbonyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-(4-amino-1H-pyrrole-2-carbonyl)-1,4-diazepan-5-one
PubChem CID63004263
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name1-(4-amino-1H-pyrrole-2-carbonyl)-1,4-diazepan-5-one
SMILESNc1c[nH]c(C(=O)N2CCNC(=O)CC2)c1
InChIInChI=1S/C10H14N4O2/c11-7-5-8(13-6-7)10(16)14-3-1-9(15)12-2-4-14/h5-6,13H,1-4,11H2,(H,12,15)
InChIKeyULZKCGQONKSHCL-UHFFFAOYSA-N
XLogP-0.44
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminobenzoyl)-1,4-diazepan-5-one
CID 63003560
(4-amino-1H-pyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43642092
(4-amino-1H-pyrrol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 43641928
1-(5-amino-2-bromobenzoyl)-1,4-diazepan-5-one
CID 63004090
(4-amino-1H-pyrrol-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106666945
1-(1H-pyrazole-4-carbonyl)-1,4-diazepan-5-one
CID 62045064
1-(5-amino-2,4-dimethylbenzoyl)-1,4-diazepan-5-one
CID 102705540
1-[3-amino-5-(3,3-dimethylbutanoyl)-1H-pyrrole-2-carbonyl]-1,4-diazepan-5-one
CID 69388461
4-(4-amino-1H-pyrrole-2-carbonyl)-N-ethylpiperazine-1-carboxamide
CID 61139010
(4-amino-1H-pyrrol-2-yl)-(4-propylpiperazin-1-yl)methanone
CID 43642134
1-(3-amino-4-methylbenzoyl)-1,4-diazepan-5-one
CID 63003194
1-(5-amino-1H-pyrazole-4-carbonyl)-1,4-diazepan-5-one
CID 63003991

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1H-pyrrole-2-carbonyl)-1,4-diazepan-5-one?
The IUPAC name of 1-(4-amino-1H-pyrrole-2-carbonyl)-1,4-diazepan-5-one (CID 63004263) is 1-(4-amino-1H-pyrrole-2-carbonyl)-1,4-diazepan-5-one.
What is the SMILES notation for 1-(4-amino-1H-pyrrole-2-carbonyl)-1,4-diazepan-5-one?
The canonical SMILES for 1-(4-amino-1H-pyrrole-2-carbonyl)-1,4-diazepan-5-one is Nc1c[nH]c(C(=O)N2CCNC(=O)CC2)c1.
What is the InChIKey of 1-(4-amino-1H-pyrrole-2-carbonyl)-1,4-diazepan-5-one?
The InChIKey is ULZKCGQONKSHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c11-7-5-8(13-6-7)10(16)14-3-1-9(15)12-2-4-14/h5-6,13H,1-4,11H2,(H,12,15).
What are the key properties of 1-(4-amino-1H-pyrrole-2-carbonyl)-1,4-diazepan-5-one?
1-(4-amino-1H-pyrrole-2-carbonyl)-1,4-diazepan-5-one has a molecular weight of 222.25 g/mol, XLogP of -0.44, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1H-pyrrole-2-carbonyl)-1,4-diazepan-5-one is sourced from PubChem (CID 63004263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).