N-spiro[2.4]heptan-2-ylbutanamide

C11H19NO — CID 130718596

IUPACN-spiro[2.4]heptan-2-ylbutanamide
SMILESCCCC(=O)NC1CC12CCCC2
InChIInChI=1S/C11H19NO/c1-2-5-10(13)12-9-8-11(9)6-3-4-7-11/h9H,2-8H2,1H3,(H,12,13)
InChIKeyBUZOMORKLWOXFM-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.24
Rot. Bonds3

About N-spiro[2.4]heptan-2-ylbutanamide

N-spiro[2.4]heptan-2-ylbutanamide (PubChem CID 130718596) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N-spiro[2.4]heptan-2-ylbutanamide.

Molecular Properties

Compound NameN-spiro[2.4]heptan-2-ylbutanamide
PubChem CID130718596
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN-spiro[2.4]heptan-2-ylbutanamide
SMILESCCCC(=O)NC1CC12CCCC2
InChIInChI=1S/C11H19NO/c1-2-5-10(13)12-9-8-11(9)6-3-4-7-11/h9H,2-8H2,1H3,(H,12,13)
InChIKeyBUZOMORKLWOXFM-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,2-difluorocyclopentyl)butanamide
CID 127009453
4-[3-oxo-3-(spiro[2.5]octan-2-ylamino)propyl]benzoic acid
CID 120692331
tert-butyl N-[(2S)-spiro[2.4]heptan-2-yl]carbamate
CID 98042480
N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidin-3-yl)butanamide
CID 126614954
2-[3-oxo-3-(spiro[2.5]octan-2-ylamino)propyl]benzoic acid
CID 120692338
tert-butyl N-spiro[2.5]octan-2-ylcarbamate
CID 86276839
N-[2-(butanoylamino)cyclopropyl]butanamide
CID 123475360
N-cyclooctylbutanamide
CID 4614062
N-methylmethanamine;N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 68908972
2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)-N-spiro[2.5]octan-2-ylacetamide
CID 127772971
3-chloro-N-(2,2-dimethylcyclohexyl)propanamide
CID 79870321
methyl N-(6-oxaspiro[2.5]octan-2-yl)carbamate
CID 130878031

Frequently Asked Questions

What is the IUPAC name of N-spiro[2.4]heptan-2-ylbutanamide?
The IUPAC name of N-spiro[2.4]heptan-2-ylbutanamide (CID 130718596) is N-spiro[2.4]heptan-2-ylbutanamide.
What is the SMILES notation for N-spiro[2.4]heptan-2-ylbutanamide?
The canonical SMILES for N-spiro[2.4]heptan-2-ylbutanamide is CCCC(=O)NC1CC12CCCC2.
What is the InChIKey of N-spiro[2.4]heptan-2-ylbutanamide?
The InChIKey is BUZOMORKLWOXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-5-10(13)12-9-8-11(9)6-3-4-7-11/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of N-spiro[2.4]heptan-2-ylbutanamide?
N-spiro[2.4]heptan-2-ylbutanamide has a molecular weight of 181.28 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-spiro[2.4]heptan-2-ylbutanamide is sourced from PubChem (CID 130718596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).