N-(2,3,4,4a,9,9a-hexahydro-1H-carbazol-2-yl)propanamide

C15H20N2O — CID 20529227

IUPACN-(2,3,4,4a,9,9a-hexahydro-1H-carbazol-2-yl)propanamide
SMILESCCC(=O)NC1CCC2c3ccccc3NC2C1
InChIInChI=1S/C15H20N2O/c1-2-15(18)16-10-7-8-12-11-5-3-4-6-13(11)17-14(12)9-10/h3-6,10,12,14,17H,2,7-9H2,1H3,(H,16,18)
InChIKeyHLAOHXTYUWEBMF-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.64
Rot. Bonds2

About N-(2,3,4,4a,9,9a-hexahydro-1H-carbazol-2-yl)propanamide

N-(2,3,4,4a,9,9a-hexahydro-1H-carbazol-2-yl)propanamide (PubChem CID 20529227) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(2,3,4,4a,9,9a-hexahydro-1H-carbazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2,3,4,4a,9,9a-hexahydro-1H-carbazol-2-yl)propanamide
PubChem CID20529227
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-(2,3,4,4a,9,9a-hexahydro-1H-carbazol-2-yl)propanamide
SMILESCCC(=O)NC1CCC2c3ccccc3NC2C1
InChIInChI=1S/C15H20N2O/c1-2-15(18)16-10-7-8-12-11-5-3-4-6-13(11)17-14(12)9-10/h3-6,10,12,14,17H,2,7-9H2,1H3,(H,16,18)
InChIKeyHLAOHXTYUWEBMF-UHFFFAOYSA-N
XLogP2.64
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(4aR)-2,3,4,4a,9,9a-hexahydro-1H-carbazole
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Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,4a,9,9a-hexahydro-1H-carbazol-2-yl)propanamide?
The IUPAC name of N-(2,3,4,4a,9,9a-hexahydro-1H-carbazol-2-yl)propanamide (CID 20529227) is N-(2,3,4,4a,9,9a-hexahydro-1H-carbazol-2-yl)propanamide.
What is the SMILES notation for N-(2,3,4,4a,9,9a-hexahydro-1H-carbazol-2-yl)propanamide?
The canonical SMILES for N-(2,3,4,4a,9,9a-hexahydro-1H-carbazol-2-yl)propanamide is CCC(=O)NC1CCC2c3ccccc3NC2C1.
What is the InChIKey of N-(2,3,4,4a,9,9a-hexahydro-1H-carbazol-2-yl)propanamide?
The InChIKey is HLAOHXTYUWEBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-15(18)16-10-7-8-12-11-5-3-4-6-13(11)17-14(12)9-10/h3-6,10,12,14,17H,2,7-9H2,1H3,(H,16,18).
What are the key properties of N-(2,3,4,4a,9,9a-hexahydro-1H-carbazol-2-yl)propanamide?
N-(2,3,4,4a,9,9a-hexahydro-1H-carbazol-2-yl)propanamide has a molecular weight of 244.34 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,4a,9,9a-hexahydro-1H-carbazol-2-yl)propanamide is sourced from PubChem (CID 20529227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).