phenyl-(2-propylpyrrol-1-yl)methanone

C14H15NO — CID 174664975

IUPACphenyl-(2-propylpyrrol-1-yl)methanone
SMILESCCCc1cccn1C(=O)c1ccccc1
InChIInChI=1S/C14H15NO/c1-2-7-13-10-6-11-15(13)14(16)12-8-4-3-5-9-12/h3-6,8-11H,2,7H2,1H3
InChIKeyXFDLVHFBOGSBHM-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.13
Rot. Bonds3

About phenyl-(2-propylpyrrol-1-yl)methanone

phenyl-(2-propylpyrrol-1-yl)methanone (PubChem CID 174664975) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is phenyl-(2-propylpyrrol-1-yl)methanone.

Molecular Properties

Compound Namephenyl-(2-propylpyrrol-1-yl)methanone
PubChem CID174664975
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Namephenyl-(2-propylpyrrol-1-yl)methanone
SMILESCCCc1cccn1C(=O)c1ccccc1
InChIInChI=1S/C14H15NO/c1-2-7-13-10-6-11-15(13)14(16)12-8-4-3-5-9-12/h3-6,8-11H,2,7H2,1H3
InChIKeyXFDLVHFBOGSBHM-UHFFFAOYSA-N
XLogP3.13
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-ethylsulfinylpyrrol-1-yl)-phenylmethanone
CID 67798385
1-(2-ethylazonin-1-yl)ethanone
CID 174323283
3-(1-benzoylpyrrol-2-yl)-1-(2H-tetrazol-5-yl)propane-1,2-dione
CID 70027109
2-[4-[(3-benzoyl-2-oxo-5-propylimidazol-1-yl)methyl]phenyl]benzoic acid
CID 19741247
benzoic acid;bis(propan-1-ol)
CID 175024841
(3-ethylpyrrol-1-yl)-phenylmethanone
CID 15892540
1-dodecyl-2-propylpyrrole;trifluoromethanesulfonic acid
CID 175874765
methyl (3S)-2-benzoyl-3-hydroxy-5-propyl-4H-pyrazole-3-carboxylate
CID 804576
methyl 2-benzoyl-3-hydroxy-5-propyl-4H-pyrazole-3-carboxylate
CID 3110644
1-phenylbutan-1-one
CID 10315
1-octyl-2-propylpyrrole
CID 171570532
benzoic acid;methanol
CID 67901482

Frequently Asked Questions

What is the IUPAC name of phenyl-(2-propylpyrrol-1-yl)methanone?
The IUPAC name of phenyl-(2-propylpyrrol-1-yl)methanone (CID 174664975) is phenyl-(2-propylpyrrol-1-yl)methanone.
What is the SMILES notation for phenyl-(2-propylpyrrol-1-yl)methanone?
The canonical SMILES for phenyl-(2-propylpyrrol-1-yl)methanone is CCCc1cccn1C(=O)c1ccccc1.
What is the InChIKey of phenyl-(2-propylpyrrol-1-yl)methanone?
The InChIKey is XFDLVHFBOGSBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-2-7-13-10-6-11-15(13)14(16)12-8-4-3-5-9-12/h3-6,8-11H,2,7H2,1H3.
What are the key properties of phenyl-(2-propylpyrrol-1-yl)methanone?
phenyl-(2-propylpyrrol-1-yl)methanone has a molecular weight of 213.28 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(2-propylpyrrol-1-yl)methanone is sourced from PubChem (CID 174664975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).