N-[(2S)-1-(furan-3-yl)propan-2-yl]cyclobutanecarboxamide

C12H17NO2 — CID 97030256

IUPACN-[(2S)-1-(furan-3-yl)propan-2-yl]cyclobutanecarboxamide
SMILESC[C@@H](Cc1ccoc1)NC(=O)C1CCC1
InChIInChI=1S/C12H17NO2/c1-9(7-10-5-6-15-8-10)13-12(14)11-3-2-4-11/h5-6,8-9,11H,2-4,7H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyOWLBXGGJVQVTAH-VIFPVBQESA-N
MW207.27 g/mol
LogP2.13
Rot. Bonds4

About N-[(2S)-1-(furan-3-yl)propan-2-yl]cyclobutanecarboxamide

N-[(2S)-1-(furan-3-yl)propan-2-yl]cyclobutanecarboxamide (PubChem CID 97030256) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-[(2S)-1-(furan-3-yl)propan-2-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(furan-3-yl)propan-2-yl]cyclobutanecarboxamide
PubChem CID97030256
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-[(2S)-1-(furan-3-yl)propan-2-yl]cyclobutanecarboxamide
SMILESC[C@@H](Cc1ccoc1)NC(=O)C1CCC1
InChIInChI=1S/C12H17NO2/c1-9(7-10-5-6-15-8-10)13-12(14)11-3-2-4-11/h5-6,8-9,11H,2-4,7H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyOWLBXGGJVQVTAH-VIFPVBQESA-N
XLogP2.13
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(furan-3-yl)propan-2-yl]cyclobutanecarboxamide?
The IUPAC name of N-[(2S)-1-(furan-3-yl)propan-2-yl]cyclobutanecarboxamide (CID 97030256) is N-[(2S)-1-(furan-3-yl)propan-2-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[(2S)-1-(furan-3-yl)propan-2-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[(2S)-1-(furan-3-yl)propan-2-yl]cyclobutanecarboxamide is C[C@@H](Cc1ccoc1)NC(=O)C1CCC1.
What is the InChIKey of N-[(2S)-1-(furan-3-yl)propan-2-yl]cyclobutanecarboxamide?
The InChIKey is OWLBXGGJVQVTAH-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17NO2/c1-9(7-10-5-6-15-8-10)13-12(14)11-3-2-4-11/h5-6,8-9,11H,2-4,7H2,1H3,(H,13,14)/t9-/m0/s1.
What are the key properties of N-[(2S)-1-(furan-3-yl)propan-2-yl]cyclobutanecarboxamide?
N-[(2S)-1-(furan-3-yl)propan-2-yl]cyclobutanecarboxamide has a molecular weight of 207.27 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(furan-3-yl)propan-2-yl]cyclobutanecarboxamide is sourced from PubChem (CID 97030256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).