1-cyano-N-(1,3-dihydroxypropan-2-yl)cyclobutane-1-carboxamide

C9H14N2O3 — CID 80592453

IUPAC1-cyano-N-(1,3-dihydroxypropan-2-yl)cyclobutane-1-carboxamide
SMILESN#CC1(C(=O)NC(CO)CO)CCC1
InChIInChI=1S/C9H14N2O3/c10-6-9(2-1-3-9)8(14)11-7(4-12)5-13/h7,12-13H,1-5H2,(H,11,14)
InChIKeyBQSUBSDYYQKOAM-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.85
Rot. Bonds4

About 1-cyano-N-(1,3-dihydroxypropan-2-yl)cyclobutane-1-carboxamide

1-cyano-N-(1,3-dihydroxypropan-2-yl)cyclobutane-1-carboxamide (PubChem CID 80592453) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-cyano-N-(1,3-dihydroxypropan-2-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(1,3-dihydroxypropan-2-yl)cyclobutane-1-carboxamide
PubChem CID80592453
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name1-cyano-N-(1,3-dihydroxypropan-2-yl)cyclobutane-1-carboxamide
SMILESN#CC1(C(=O)NC(CO)CO)CCC1
InChIInChI=1S/C9H14N2O3/c10-6-9(2-1-3-9)8(14)11-7(4-12)5-13/h7,12-13H,1-5H2,(H,11,14)
InChIKeyBQSUBSDYYQKOAM-UHFFFAOYSA-N
XLogP-0.85
TPSA93.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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1-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)cyclobutane-1-carboxamide
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1-cyano-N-(1-hydroxy-3-methylbutan-2-yl)cyclopentane-1-carboxamide
CID 79250293
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1-cyano-N-hexan-3-ylcyclohexane-1-carboxamide
CID 62045712
1-cyano-N-pent-4-en-2-ylcyclobutane-1-carboxamide
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1-cyano-N-pentan-2-ylcyclopentane-1-carboxamide
CID 55025382
methyl 2-[(1-cyanocyclobutanecarbonyl)amino]propanoate
CID 80599690
1-cyano-N-(1-cyclopentylethyl)cyclobutane-1-carboxamide
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CID 61461956

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(1,3-dihydroxypropan-2-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-(1,3-dihydroxypropan-2-yl)cyclobutane-1-carboxamide (CID 80592453) is 1-cyano-N-(1,3-dihydroxypropan-2-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(1,3-dihydroxypropan-2-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(1,3-dihydroxypropan-2-yl)cyclobutane-1-carboxamide is N#CC1(C(=O)NC(CO)CO)CCC1.
What is the InChIKey of 1-cyano-N-(1,3-dihydroxypropan-2-yl)cyclobutane-1-carboxamide?
The InChIKey is BQSUBSDYYQKOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c10-6-9(2-1-3-9)8(14)11-7(4-12)5-13/h7,12-13H,1-5H2,(H,11,14).
What are the key properties of 1-cyano-N-(1,3-dihydroxypropan-2-yl)cyclobutane-1-carboxamide?
1-cyano-N-(1,3-dihydroxypropan-2-yl)cyclobutane-1-carboxamide has a molecular weight of 198.22 g/mol, XLogP of -0.85, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(1,3-dihydroxypropan-2-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 80592453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).