4-(1-methyl-2,3-dihydropyrrole-5-carbonyl)piperazine-1-carbaldehyde

C11H17N3O2 — CID 89385287

IUPAC4-(1-methyl-2,3-dihydropyrrole-5-carbonyl)piperazine-1-carbaldehyde
SMILESCN1CCC=C1C(=O)N1CCN(C=O)CC1
InChIInChI=1S/C11H17N3O2/c1-12-4-2-3-10(12)11(16)14-7-5-13(9-15)6-8-14/h3,9H,2,4-8H2,1H3
InChIKeyILZKKSNXYHQOPI-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.49
Rot. Bonds2

About 4-(1-methyl-2,3-dihydropyrrole-5-carbonyl)piperazine-1-carbaldehyde

4-(1-methyl-2,3-dihydropyrrole-5-carbonyl)piperazine-1-carbaldehyde (PubChem CID 89385287) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(1-methyl-2,3-dihydropyrrole-5-carbonyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(1-methyl-2,3-dihydropyrrole-5-carbonyl)piperazine-1-carbaldehyde
PubChem CID89385287
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-(1-methyl-2,3-dihydropyrrole-5-carbonyl)piperazine-1-carbaldehyde
SMILESCN1CCC=C1C(=O)N1CCN(C=O)CC1
InChIInChI=1S/C11H17N3O2/c1-12-4-2-3-10(12)11(16)14-7-5-13(9-15)6-8-14/h3,9H,2,4-8H2,1H3
InChIKeyILZKKSNXYHQOPI-UHFFFAOYSA-N
XLogP-0.49
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3,7,8-Tetrahydrodipyrrolo[1,2-a:1',2'-d]pyrazine-5,10-dione
CID 322180
2,3-Dimethyl-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 21594868
2H-Azepin-2-one, 1,5,6,7-tetrahydro-1-methyl-3-(1-piperidinyl)-
CID 12228547
1-Methyl-5-morpholin-4-yl-2,3-dihydropyridin-6-one
CID 21137416
(3Z,6Z)-1,4-dimethyl-3,6-bis(2-methylpropylidene)piperazine-2,5-dione
CID 58443708
(3E,6Z)-1,4-dimethyl-3,6-bis(2-methylpropylidene)piperazine-2,5-dione
CID 58443737
2-prop-2-enyl-6,7-dihydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 67004024
2-methyl-6,7-dihydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 67004277
(1,3-Dimethyl-2,3-dihydropyrrol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 68177946
(3Z)-3-ethylidene-4,6-dimethyl-1-propan-2-ylpiperazin-2-one
CID 89063960
(3Z)-3-ethylidene-1,4,6-trimethylpiperazin-2-one
CID 89194292
(Z)-2-(4-methylpiperazin-1-yl)pent-2-enamide
CID 90151397

Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-2,3-dihydropyrrole-5-carbonyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(1-methyl-2,3-dihydropyrrole-5-carbonyl)piperazine-1-carbaldehyde (CID 89385287) is 4-(1-methyl-2,3-dihydropyrrole-5-carbonyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(1-methyl-2,3-dihydropyrrole-5-carbonyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(1-methyl-2,3-dihydropyrrole-5-carbonyl)piperazine-1-carbaldehyde is CN1CCC=C1C(=O)N1CCN(C=O)CC1.
What is the InChIKey of 4-(1-methyl-2,3-dihydropyrrole-5-carbonyl)piperazine-1-carbaldehyde?
The InChIKey is ILZKKSNXYHQOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-12-4-2-3-10(12)11(16)14-7-5-13(9-15)6-8-14/h3,9H,2,4-8H2,1H3.
What are the key properties of 4-(1-methyl-2,3-dihydropyrrole-5-carbonyl)piperazine-1-carbaldehyde?
4-(1-methyl-2,3-dihydropyrrole-5-carbonyl)piperazine-1-carbaldehyde has a molecular weight of 223.28 g/mol, XLogP of -0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-2,3-dihydropyrrole-5-carbonyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 89385287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).