pyrrolidin-1-yl(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone

C12H18N4O — CID 155915231

IUPACpyrrolidin-1-yl(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone
SMILESO=C(c1cn2c(n1)CCNCC2)N1CCCC1
InChIInChI=1S/C12H18N4O/c17-12(15-6-1-2-7-15)10-9-16-8-5-13-4-3-11(16)14-10/h9,13H,1-8H2
InChIKeyDTKLILBJCBZELY-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.26
Rot. Bonds1

About pyrrolidin-1-yl(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone

pyrrolidin-1-yl(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone (PubChem CID 155915231) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is pyrrolidin-1-yl(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone.

Molecular Properties

Compound Namepyrrolidin-1-yl(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone
PubChem CID155915231
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Namepyrrolidin-1-yl(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone
SMILESO=C(c1cn2c(n1)CCNCC2)N1CCCC1
InChIInChI=1S/C12H18N4O/c17-12(15-6-1-2-7-15)10-9-16-8-5-13-4-3-11(16)14-10/h9,13H,1-8H2
InChIKeyDTKLILBJCBZELY-UHFFFAOYSA-N
XLogP0.26
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrrolidin-1-yl(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone?
The IUPAC name of pyrrolidin-1-yl(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone (CID 155915231) is pyrrolidin-1-yl(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone.
What is the SMILES notation for pyrrolidin-1-yl(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone?
The canonical SMILES for pyrrolidin-1-yl(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone is O=C(c1cn2c(n1)CCNCC2)N1CCCC1.
What is the InChIKey of pyrrolidin-1-yl(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone?
The InChIKey is DTKLILBJCBZELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c17-12(15-6-1-2-7-15)10-9-16-8-5-13-4-3-11(16)14-10/h9,13H,1-8H2.
What are the key properties of pyrrolidin-1-yl(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone?
pyrrolidin-1-yl(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone has a molecular weight of 234.30 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolidin-1-yl(6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepin-2-yl)methanone is sourced from PubChem (CID 155915231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).