N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclopenta-1,3-diene-1-carboxamide

C11H17NO2 — CID 15184017

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclopenta-1,3-diene-1-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)C1=CC=CC1
InChIInChI=1S/C11H17NO2/c1-8(2)10(7-13)12-11(14)9-5-3-4-6-9/h3-5,8,10,13H,6-7H2,1-2H3,(H,12,14)/t10-/m1/s1
InChIKeyVXQGRMOKKLGWMO-SNVBAGLBSA-N
MW195.26 g/mol
LogP1.01
Rot. Bonds4

About N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclopenta-1,3-diene-1-carboxamide

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclopenta-1,3-diene-1-carboxamide (PubChem CID 15184017) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclopenta-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclopenta-1,3-diene-1-carboxamide
PubChem CID15184017
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclopenta-1,3-diene-1-carboxamide
SMILESCC(C)[C@@H](CO)NC(=O)C1=CC=CC1
InChIInChI=1S/C11H17NO2/c1-8(2)10(7-13)12-11(14)9-5-3-4-6-9/h3-5,8,10,13H,6-7H2,1-2H3,(H,12,14)/t10-/m1/s1
InChIKeyVXQGRMOKKLGWMO-SNVBAGLBSA-N
XLogP1.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 16091960
CID 16091960
CID 16091961
CID 16091961
CID 139590538
CID 139590538
CID 141292924
CID 141292924
CID 141293083
CID 141293083
CID 141293211
CID 141293211
CID 159687428
CID 159687428
CID 134860994
CID 134860994
CID 161606722
CID 161606722
CID 161606723
CID 161606723
CID 101886925
CID 101886925
CID 12165874
CID 12165874

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclopenta-1,3-diene-1-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclopenta-1,3-diene-1-carboxamide (CID 15184017) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclopenta-1,3-diene-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclopenta-1,3-diene-1-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclopenta-1,3-diene-1-carboxamide is CC(C)[C@@H](CO)NC(=O)C1=CC=CC1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclopenta-1,3-diene-1-carboxamide?
The InChIKey is VXQGRMOKKLGWMO-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8(2)10(7-13)12-11(14)9-5-3-4-6-9/h3-5,8,10,13H,6-7H2,1-2H3,(H,12,14)/t10-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclopenta-1,3-diene-1-carboxamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclopenta-1,3-diene-1-carboxamide has a molecular weight of 195.26 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]cyclopenta-1,3-diene-1-carboxamide is sourced from PubChem (CID 15184017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).