N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide

C9H17NO3 — CID 61278904

IUPACN-(1-hydroxybutan-2-yl)oxolane-3-carboxamide
SMILESCCC(CO)NC(=O)C1CCOC1
InChIInChI=1S/C9H17NO3/c1-2-8(5-11)10-9(12)7-3-4-13-6-7/h7-8,11H,2-6H2,1H3,(H,10,12)
InChIKeyMOLVPEAKGXOTSB-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.09
Rot. Bonds4

About N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide

N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide (PubChem CID 61278904) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)oxolane-3-carboxamide
PubChem CID61278904
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameN-(1-hydroxybutan-2-yl)oxolane-3-carboxamide
SMILESCCC(CO)NC(=O)C1CCOC1
InChIInChI=1S/C9H17NO3/c1-2-8(5-11)10-9(12)7-3-4-13-6-7/h7-8,11H,2-6H2,1H3,(H,10,12)
InChIKeyMOLVPEAKGXOTSB-UHFFFAOYSA-N
XLogP-0.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide (CID 61278904) is N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide is CCC(CO)NC(=O)C1CCOC1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide?
The InChIKey is MOLVPEAKGXOTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-8(5-11)10-9(12)7-3-4-13-6-7/h7-8,11H,2-6H2,1H3,(H,10,12).
What are the key properties of N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide?
N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide has a molecular weight of 187.24 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)oxolane-3-carboxamide is sourced from PubChem (CID 61278904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).