N-cyclohexyl-2-pyrrol-1-ylpropanamide

C13H20N2O — CID 126459248

IUPACN-cyclohexyl-2-pyrrol-1-ylpropanamide
SMILESCC(C(=O)NC1CCCCC1)n1cccc1
InChIInChI=1S/C13H20N2O/c1-11(15-9-5-6-10-15)13(16)14-12-7-3-2-4-8-12/h5-6,9-12H,2-4,7-8H2,1H3,(H,14,16)
InChIKeyUPULWQQVESGHSQ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.50
Rot. Bonds3

About N-cyclohexyl-2-pyrrol-1-ylpropanamide

N-cyclohexyl-2-pyrrol-1-ylpropanamide (PubChem CID 126459248) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-cyclohexyl-2-pyrrol-1-ylpropanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-pyrrol-1-ylpropanamide
PubChem CID126459248
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-cyclohexyl-2-pyrrol-1-ylpropanamide
SMILESCC(C(=O)NC1CCCCC1)n1cccc1
InChIInChI=1S/C13H20N2O/c1-11(15-9-5-6-10-15)13(16)14-12-7-3-2-4-8-12/h5-6,9-12H,2-4,7-8H2,1H3,(H,14,16)
InChIKeyUPULWQQVESGHSQ-UHFFFAOYSA-N
XLogP2.50
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-2-(1H-pyrrol-1-yl)acetamide
CID 3239634
(2S)-2-(2-oxo-4-pyrrol-1-ylpyrrolidin-1-yl)butanamide
CID 9834598
1-(4-Propylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
CID 46343142
1-(4-ethylpiperazin-1-yl)-3-(1H-pyrrol-1-yl)propan-1-one
CID 46343155
N-[1-(methylsulfonyl)piperidin-4-yl]-2-(1H-pyrrol-1-yl)pentanamide
CID 56867451
1-cyclohexyl-N-[2-(1H-pyrrol-1-yl)ethyl]-4-piperidinecarboxamide
CID 72839938
N-butyl-4-pyrrol-1-ylpiperidine-1-carboxamide
CID 2822464
N-[2-(1-azepanyl)ethyl]-3-(1H-pyrrol-1-yl)propanamide
CID 45106881
N-cyclopropyl-3-pyrrol-1-ylpropanamide
CID 45106935
Ethyl 4-[3-(1H-pyrrol-1-YL)propanamido]piperidine-1-carboxylate
CID 45106964
N-tert-butyl-1-pyrrol-1-ylcyclohexane-1-carboxamide
CID 53015442
1H-Pyrrole-1-acetamide
CID 19973177

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-pyrrol-1-ylpropanamide?
The IUPAC name of N-cyclohexyl-2-pyrrol-1-ylpropanamide (CID 126459248) is N-cyclohexyl-2-pyrrol-1-ylpropanamide.
What is the SMILES notation for N-cyclohexyl-2-pyrrol-1-ylpropanamide?
The canonical SMILES for N-cyclohexyl-2-pyrrol-1-ylpropanamide is CC(C(=O)NC1CCCCC1)n1cccc1.
What is the InChIKey of N-cyclohexyl-2-pyrrol-1-ylpropanamide?
The InChIKey is UPULWQQVESGHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11(15-9-5-6-10-15)13(16)14-12-7-3-2-4-8-12/h5-6,9-12H,2-4,7-8H2,1H3,(H,14,16).
What are the key properties of N-cyclohexyl-2-pyrrol-1-ylpropanamide?
N-cyclohexyl-2-pyrrol-1-ylpropanamide has a molecular weight of 220.32 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-pyrrol-1-ylpropanamide is sourced from PubChem (CID 126459248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).