N-tert-butyl-1-hydroxycyclopropane-1-carboxamide

C8H15NO2 — CID 139520715

IUPACN-tert-butyl-1-hydroxycyclopropane-1-carboxamide
SMILESCC(C)(C)NC(=O)C1(O)CC1
InChIInChI=1S/C8H15NO2/c1-7(2,3)9-6(10)8(11)4-5-8/h11H,4-5H2,1-3H3,(H,9,10)
InChIKeyKPDLFVHGMXOHGA-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.43
Rot. Bonds1

About N-tert-butyl-1-hydroxycyclopropane-1-carboxamide

N-tert-butyl-1-hydroxycyclopropane-1-carboxamide (PubChem CID 139520715) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is N-tert-butyl-1-hydroxycyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-hydroxycyclopropane-1-carboxamide
PubChem CID139520715
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC NameN-tert-butyl-1-hydroxycyclopropane-1-carboxamide
SMILESCC(C)(C)NC(=O)C1(O)CC1
InChIInChI=1S/C8H15NO2/c1-7(2,3)9-6(10)8(11)4-5-8/h11H,4-5H2,1-3H3,(H,9,10)
InChIKeyKPDLFVHGMXOHGA-UHFFFAOYSA-N
XLogP0.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-hydroxycyclopropane-1-carboxamide?
The IUPAC name of N-tert-butyl-1-hydroxycyclopropane-1-carboxamide (CID 139520715) is N-tert-butyl-1-hydroxycyclopropane-1-carboxamide.
What is the SMILES notation for N-tert-butyl-1-hydroxycyclopropane-1-carboxamide?
The canonical SMILES for N-tert-butyl-1-hydroxycyclopropane-1-carboxamide is CC(C)(C)NC(=O)C1(O)CC1.
What is the InChIKey of N-tert-butyl-1-hydroxycyclopropane-1-carboxamide?
The InChIKey is KPDLFVHGMXOHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-7(2,3)9-6(10)8(11)4-5-8/h11H,4-5H2,1-3H3,(H,9,10).
What are the key properties of N-tert-butyl-1-hydroxycyclopropane-1-carboxamide?
N-tert-butyl-1-hydroxycyclopropane-1-carboxamide has a molecular weight of 157.21 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-hydroxycyclopropane-1-carboxamide is sourced from PubChem (CID 139520715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).