[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-(1H-pyrrol-2-yl)methanone

C15H17N3O3 — CID 110807785

IUPAC[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)N1CCCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C15H17N3O3/c19-14(12-4-1-6-16-12)17-7-3-8-18(10-9-17)15(20)13-5-2-11-21-13/h1-2,4-6,11,16H,3,7-10H2
InChIKeyLSMSYBCDDHJPDJ-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.60
Rot. Bonds2

About [4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-(1H-pyrrol-2-yl)methanone

[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 110807785) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is [4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-(1H-pyrrol-2-yl)methanone
PubChem CID110807785
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESO=C(c1ccc[nH]1)N1CCCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C15H17N3O3/c19-14(12-4-1-6-16-12)17-7-3-8-18(10-9-17)15(20)13-5-2-11-21-13/h1-2,4-6,11,16H,3,7-10H2
InChIKeyLSMSYBCDDHJPDJ-UHFFFAOYSA-N
XLogP1.60
TPSA69.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl(furan-2-yl)methanone
CID 5200992
N-[1-(furan-2-carbonyl)piperidin-3-yl]-1H-pyrrole-2-carboxamide
CID 131936035
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796817
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958407
2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 55119191
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 110796632
furan-2-yl-(4-piperidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 5298740
[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-2-ylmethanone
CID 110807707
furan-2-yl-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone
CID 95750017
3-azaspiro[5.5]undecan-3-yl(furan-2-yl)methanone
CID 62867411
[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-(4-propan-2-ylphenyl)methanone
CID 110798012
[4-(furan-2-carbonyl)piperazin-1-yl]-(1H-indol-6-yl)methanone
CID 110695005

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-(1H-pyrrol-2-yl)methanone?
The IUPAC name of [4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-(1H-pyrrol-2-yl)methanone (CID 110807785) is [4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for [4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-(1H-pyrrol-2-yl)methanone is O=C(c1ccc[nH]1)N1CCCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-(1H-pyrrol-2-yl)methanone?
The InChIKey is LSMSYBCDDHJPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-14(12-4-1-6-16-12)17-7-3-8-18(10-9-17)15(20)13-5-2-11-21-13/h1-2,4-6,11,16H,3,7-10H2.
What are the key properties of [4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-(1H-pyrrol-2-yl)methanone?
[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 287.32 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 110807785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).