N-[2-(2-hydroxyethyl)pentyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

C15H28N2O2 — CID 106116618

IUPACN-[2-(2-hydroxyethyl)pentyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESCCCC(CCO)CNC(=O)C1NCC2CCCC21
InChIInChI=1S/C15H28N2O2/c1-2-4-11(7-8-18)9-17-15(19)14-13-6-3-5-12(13)10-16-14/h11-14,16,18H,2-10H2,1H3,(H,17,19)
InChIKeyJCZYZICJAPAKLD-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.29
Rot. Bonds7

About N-[2-(2-hydroxyethyl)pentyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide

N-[2-(2-hydroxyethyl)pentyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (PubChem CID 106116618) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)pentyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)pentyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
PubChem CID106116618
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-[2-(2-hydroxyethyl)pentyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
SMILESCCCC(CCO)CNC(=O)C1NCC2CCCC21
InChIInChI=1S/C15H28N2O2/c1-2-4-11(7-8-18)9-17-15(19)14-13-6-3-5-12(13)10-16-14/h11-14,16,18H,2-10H2,1H3,(H,17,19)
InChIKeyJCZYZICJAPAKLD-UHFFFAOYSA-N
XLogP1.29
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[2-(2-hydroxyethyl)pentyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide with MolForge

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Related Compounds

N-(2-methylpropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890096
(3S)-3-[(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)methyl]-5-methylhexanoic acid
CID 102893245
N-(2-ethoxypropyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893761
N-(2,2-dicyclopropylethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893257
6-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)-4-ethylhexanoic acid
CID 102893159
N-hex-1-yn-3-yl-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 106230709
N-(1,3-dihydroxypropan-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893232
N-(2-methylprop-2-enyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893920
N-(2-butoxyethyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102892280
N-(2-methylpentan-3-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102892730
(2S)-N-[2-(2-hydroxyethyl)pentyl]oxolane-2-carboxamide
CID 103873564
N-(4-ethylsulfanylbutan-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893859

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide (CID 106116618) is N-[2-(2-hydroxyethyl)pentyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)pentyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)pentyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is CCCC(CCO)CNC(=O)C1NCC2CCCC21.
What is the InChIKey of N-[2-(2-hydroxyethyl)pentyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
The InChIKey is JCZYZICJAPAKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-2-4-11(7-8-18)9-17-15(19)14-13-6-3-5-12(13)10-16-14/h11-14,16,18H,2-10H2,1H3,(H,17,19).
What are the key properties of N-[2-(2-hydroxyethyl)pentyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide?
N-[2-(2-hydroxyethyl)pentyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide has a molecular weight of 268.40 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)pentyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide is sourced from PubChem (CID 106116618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).