4-(4-propanoyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one

C13H21N3O3 — CID 78983335

IUPAC4-(4-propanoyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
SMILESCCC(=O)N1CCCN(C(=O)C2CNC(=O)C2)CC1
InChIInChI=1S/C13H21N3O3/c1-2-12(18)15-4-3-5-16(7-6-15)13(19)10-8-11(17)14-9-10/h10H,2-9H2,1H3,(H,14,17)
InChIKeyRNTRGHDGFMTZQE-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.41
Rot. Bonds2

About 4-(4-propanoyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one

4-(4-propanoyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one (PubChem CID 78983335) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-(4-propanoyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-propanoyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
PubChem CID78983335
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name4-(4-propanoyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
SMILESCCC(=O)N1CCCN(C(=O)C2CNC(=O)C2)CC1
InChIInChI=1S/C13H21N3O3/c1-2-12(18)15-4-3-5-16(7-6-15)13(19)10-8-11(17)14-9-10/h10H,2-9H2,1H3,(H,14,17)
InChIKeyRNTRGHDGFMTZQE-UHFFFAOYSA-N
XLogP-0.41
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(2-methoxyacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 78983107
N-ethyl-4-(5-oxopyrrolidine-3-carbonyl)piperazine-1-carboxamide
CID 66754582
1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796478
5-(4-methyl-1,4-diazepane-1-carbonyl)piperidin-2-one
CID 112729081
4-(4-propylazepane-1-carbonyl)pyrrolidin-2-one
CID 49007468
5-(azepane-1-carbonyl)piperidin-2-one
CID 112728735
5-(azocane-1-carbonyl)piperidin-2-one
CID 112728799
1-(4-propanoyl-1,4-diazocan-1-yl)propan-1-one
CID 146415893
5-(4-pent-4-enoyl-1,4-diazepane-1-carbonyl)piperidin-2-one
CID 135090162
4-(3,3-dimethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 78957612
4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 81485174
2-[4-(6-oxopiperidine-3-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 83193169

Frequently Asked Questions

What is the IUPAC name of 4-(4-propanoyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 4-(4-propanoyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one (CID 78983335) is 4-(4-propanoyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-propanoyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 4-(4-propanoyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one is CCC(=O)N1CCCN(C(=O)C2CNC(=O)C2)CC1.
What is the InChIKey of 4-(4-propanoyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one?
The InChIKey is RNTRGHDGFMTZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-2-12(18)15-4-3-5-16(7-6-15)13(19)10-8-11(17)14-9-10/h10H,2-9H2,1H3,(H,14,17).
What are the key properties of 4-(4-propanoyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one?
4-(4-propanoyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one has a molecular weight of 267.33 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propanoyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 78983335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).