N-[2-(3H-pyrrol-4-yl)ethyl]cyclohexanecarboxamide

C13H20N2O — CID 147446179

IUPACN-[2-(3H-pyrrol-4-yl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCCC1=CN=CC1)C1CCCCC1
InChIInChI=1S/C13H20N2O/c16-13(12-4-2-1-3-5-12)15-9-7-11-6-8-14-10-11/h8,10,12H,1-7,9H2,(H,15,16)
InChIKeyDXDVSNGGQPWHRY-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.43
Rot. Bonds4

About N-[2-(3H-pyrrol-4-yl)ethyl]cyclohexanecarboxamide

N-[2-(3H-pyrrol-4-yl)ethyl]cyclohexanecarboxamide (PubChem CID 147446179) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[2-(3H-pyrrol-4-yl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(3H-pyrrol-4-yl)ethyl]cyclohexanecarboxamide
PubChem CID147446179
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[2-(3H-pyrrol-4-yl)ethyl]cyclohexanecarboxamide
SMILESO=C(NCCC1=CN=CC1)C1CCCCC1
InChIInChI=1S/C13H20N2O/c16-13(12-4-2-1-3-5-12)15-9-7-11-6-8-14-10-11/h8,10,12H,1-7,9H2,(H,15,16)
InChIKeyDXDVSNGGQPWHRY-UHFFFAOYSA-N
XLogP2.43
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-difluoro-N-[2-(2-oxo-1H-pyrimidin-5-yl)ethyl]cyclohexane-1-carboxamide
CID 137949853
2-(3,4-dimethyl-4,5-dihydro-3H-azepin-6-yl)-N-ethylacetamide
CID 89812707
6-amino-N-[2-(3H-pyrrol-4-yl)ethyl]hexanamide
CID 149138375
2-methyl-N-propan-2-yl-3-(3H-pyrrol-4-yl)propanamide
CID 167651759
N-[2-(aminomethyl)cyclohexyl]-3H-pyrrole-4-carboxamide
CID 157232758

Frequently Asked Questions

What is the IUPAC name of N-[2-(3H-pyrrol-4-yl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(3H-pyrrol-4-yl)ethyl]cyclohexanecarboxamide (CID 147446179) is N-[2-(3H-pyrrol-4-yl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(3H-pyrrol-4-yl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(3H-pyrrol-4-yl)ethyl]cyclohexanecarboxamide is O=C(NCCC1=CN=CC1)C1CCCCC1.
What is the InChIKey of N-[2-(3H-pyrrol-4-yl)ethyl]cyclohexanecarboxamide?
The InChIKey is DXDVSNGGQPWHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c16-13(12-4-2-1-3-5-12)15-9-7-11-6-8-14-10-11/h8,10,12H,1-7,9H2,(H,15,16).
What are the key properties of N-[2-(3H-pyrrol-4-yl)ethyl]cyclohexanecarboxamide?
N-[2-(3H-pyrrol-4-yl)ethyl]cyclohexanecarboxamide has a molecular weight of 220.32 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3H-pyrrol-4-yl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 147446179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).