N-[(2S)-2-hydroxy-2,5-dimethylhexyl]cyclopent-3-ene-1-carboxamide

C14H25NO2 — CID 95978074

IUPACN-[(2S)-2-hydroxy-2,5-dimethylhexyl]cyclopent-3-ene-1-carboxamide
SMILESCC(C)CC[C@](C)(O)CNC(=O)C1CC=CC1
InChIInChI=1S/C14H25NO2/c1-11(2)8-9-14(3,17)10-15-13(16)12-6-4-5-7-12/h4-5,11-12,17H,6-10H2,1-3H3,(H,15,16)/t14-/m0/s1
InChIKeyDGVVOHHHBRRXHO-AWEZNQCLSA-N
MW239.36 g/mol
LogP2.26
Rot. Bonds6

About N-[(2S)-2-hydroxy-2,5-dimethylhexyl]cyclopent-3-ene-1-carboxamide

N-[(2S)-2-hydroxy-2,5-dimethylhexyl]cyclopent-3-ene-1-carboxamide (PubChem CID 95978074) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-2,5-dimethylhexyl]cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-2,5-dimethylhexyl]cyclopent-3-ene-1-carboxamide
PubChem CID95978074
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-[(2S)-2-hydroxy-2,5-dimethylhexyl]cyclopent-3-ene-1-carboxamide
SMILESCC(C)CC[C@](C)(O)CNC(=O)C1CC=CC1
InChIInChI=1S/C14H25NO2/c1-11(2)8-9-14(3,17)10-15-13(16)12-6-4-5-7-12/h4-5,11-12,17H,6-10H2,1-3H3,(H,15,16)/t14-/m0/s1
InChIKeyDGVVOHHHBRRXHO-AWEZNQCLSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-2,5-dimethylhexyl]cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxy-2,5-dimethylhexyl]cyclopent-3-ene-1-carboxamide (CID 95978074) is N-[(2S)-2-hydroxy-2,5-dimethylhexyl]cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-2,5-dimethylhexyl]cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxy-2,5-dimethylhexyl]cyclopent-3-ene-1-carboxamide is CC(C)CC[C@](C)(O)CNC(=O)C1CC=CC1.
What is the InChIKey of N-[(2S)-2-hydroxy-2,5-dimethylhexyl]cyclopent-3-ene-1-carboxamide?
The InChIKey is DGVVOHHHBRRXHO-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11(2)8-9-14(3,17)10-15-13(16)12-6-4-5-7-12/h4-5,11-12,17H,6-10H2,1-3H3,(H,15,16)/t14-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxy-2,5-dimethylhexyl]cyclopent-3-ene-1-carboxamide?
N-[(2S)-2-hydroxy-2,5-dimethylhexyl]cyclopent-3-ene-1-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-2,5-dimethylhexyl]cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 95978074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).