N-(1-hydroxypropan-2-yl)-2-propan-2-ylcyclopropane-1-carboxamide

C10H19NO2 — CID 66804094

IUPACN-(1-hydroxypropan-2-yl)-2-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(CO)NC(=O)C1CC1C(C)C
InChIInChI=1S/C10H19NO2/c1-6(2)8-4-9(8)10(13)11-7(3)5-12/h6-9,12H,4-5H2,1-3H3,(H,11,13)
InChIKeyGSZYYJVJNMJQJA-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.78
Rot. Bonds4

About N-(1-hydroxypropan-2-yl)-2-propan-2-ylcyclopropane-1-carboxamide

N-(1-hydroxypropan-2-yl)-2-propan-2-ylcyclopropane-1-carboxamide (PubChem CID 66804094) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-2-propan-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-2-propan-2-ylcyclopropane-1-carboxamide
PubChem CID66804094
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-(1-hydroxypropan-2-yl)-2-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(CO)NC(=O)C1CC1C(C)C
InChIInChI=1S/C10H19NO2/c1-6(2)8-4-9(8)10(13)11-7(3)5-12/h6-9,12H,4-5H2,1-3H3,(H,11,13)
InChIKeyGSZYYJVJNMJQJA-UHFFFAOYSA-N
XLogP0.78
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 107214513
(1S,6R)-6-(1-hydroxypropan-2-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104962101
N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide
CID 63714919
N-(1-hydroxypropan-2-yl)cyclobutanecarboxamide
CID 43418906
(3S,4S)-N-(1-hydroxypropan-2-yl)-4-methylpyrrolidine-3-carboxamide;hydrochloride
CID 130719913
3,3-difluoro-N-[(2R)-1-hydroxypropan-2-yl]cyclobutane-1-carboxamide
CID 130834234
trans-(1R,2S)-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 59617928
2-(4-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 83176642
N-(1-hydroxypropan-2-yl)-2-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 78856627
trans-(1S,2R)-2-propan-2-ylcyclopropane-1-carboxamide
CID 130399557
trans-(1R,2S)-N-[cyclopropyl(2H-tetrazol-5-yl)methyl]-2-propan-2-ylcyclopropane-1-carboxamide
CID 166312498
[(2S)-1-hydroxypropan-2-yl]carbamic acid
CID 87508114

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-2-propan-2-ylcyclopropane-1-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-2-propan-2-ylcyclopropane-1-carboxamide (CID 66804094) is N-(1-hydroxypropan-2-yl)-2-propan-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-2-propan-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-2-propan-2-ylcyclopropane-1-carboxamide is CC(CO)NC(=O)C1CC1C(C)C.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-2-propan-2-ylcyclopropane-1-carboxamide?
The InChIKey is GSZYYJVJNMJQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-6(2)8-4-9(8)10(13)11-7(3)5-12/h6-9,12H,4-5H2,1-3H3,(H,11,13).
What are the key properties of N-(1-hydroxypropan-2-yl)-2-propan-2-ylcyclopropane-1-carboxamide?
N-(1-hydroxypropan-2-yl)-2-propan-2-ylcyclopropane-1-carboxamide has a molecular weight of 185.27 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-2-propan-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 66804094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).