(5-bromofuran-2-yl)-(4-propylazepan-1-yl)methanone

C14H20BrNO2 — CID 49008152

IUPAC(5-bromofuran-2-yl)-(4-propylazepan-1-yl)methanone
SMILESCCCC1CCCN(C(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C14H20BrNO2/c1-2-4-11-5-3-9-16(10-8-11)14(17)12-6-7-13(15)18-12/h6-7,11H,2-5,8-10H2,1H3
InChIKeyPCVDVFYBZKZUJP-UHFFFAOYSA-N
MW314.22 g/mol
LogP4.08
Rot. Bonds3

About (5-bromofuran-2-yl)-(4-propylazepan-1-yl)methanone

(5-bromofuran-2-yl)-(4-propylazepan-1-yl)methanone (PubChem CID 49008152) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(4-propylazepan-1-yl)methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(4-propylazepan-1-yl)methanone
PubChem CID49008152
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name(5-bromofuran-2-yl)-(4-propylazepan-1-yl)methanone
SMILESCCCC1CCCN(C(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C14H20BrNO2/c1-2-4-11-5-3-9-16(10-8-11)14(17)12-6-7-13(15)18-12/h6-7,11H,2-5,8-10H2,1H3
InChIKeyPCVDVFYBZKZUJP-UHFFFAOYSA-N
XLogP4.08
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromofuran-2-yl)-[4-(bromomethyl)piperidin-1-yl]methanone
CID 80678565
(5-bromofuran-2-yl)-[3-(fluoromethyl)piperidin-1-yl]methanone
CID 163346718
5-(4-ethylazepane-1-carbonyl)furan-2-carboxylic acid
CID 75356033
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410
[4-(1-bromoethyl)piperidin-1-yl]-(5-bromofuran-2-yl)methanone
CID 106839225
(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560232
1-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]ethanone
CID 84581067
1-[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60702023
(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560231
N-[1-(5-bromofuran-2-carbonyl)piperidin-4-yl]pentanamide
CID 108555501
(5-bromofuran-2-yl)-(4,4-dimethylazepan-1-yl)methanone
CID 65283148
(5-bromofuran-2-yl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488242

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(4-propylazepan-1-yl)methanone?
The IUPAC name of (5-bromofuran-2-yl)-(4-propylazepan-1-yl)methanone (CID 49008152) is (5-bromofuran-2-yl)-(4-propylazepan-1-yl)methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-(4-propylazepan-1-yl)methanone?
The canonical SMILES for (5-bromofuran-2-yl)-(4-propylazepan-1-yl)methanone is CCCC1CCCN(C(=O)c2ccc(Br)o2)CC1.
What is the InChIKey of (5-bromofuran-2-yl)-(4-propylazepan-1-yl)methanone?
The InChIKey is PCVDVFYBZKZUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-2-4-11-5-3-9-16(10-8-11)14(17)12-6-7-13(15)18-12/h6-7,11H,2-5,8-10H2,1H3.
What are the key properties of (5-bromofuran-2-yl)-(4-propylazepan-1-yl)methanone?
(5-bromofuran-2-yl)-(4-propylazepan-1-yl)methanone has a molecular weight of 314.22 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(4-propylazepan-1-yl)methanone is sourced from PubChem (CID 49008152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).