N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclooctanecarboxamide

C14H25NO2 — CID 80717782

IUPACN-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclooctanecarboxamide
SMILESO=C(NCC1(CO)CC1)C1CCCCCCC1
InChIInChI=1S/C14H25NO2/c16-11-14(8-9-14)10-15-13(17)12-6-4-2-1-3-5-7-12/h12,16H,1-11H2,(H,15,17)
InChIKeyHHTBFWZVEBJAMD-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.24
Rot. Bonds4

About N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclooctanecarboxamide

N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclooctanecarboxamide (PubChem CID 80717782) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclooctanecarboxamide.

Molecular Properties

Compound NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclooctanecarboxamide
PubChem CID80717782
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclooctanecarboxamide
SMILESO=C(NCC1(CO)CC1)C1CCCCCCC1
InChIInChI=1S/C14H25NO2/c16-11-14(8-9-14)10-15-13(17)12-6-4-2-1-3-5-7-12/h12,16H,1-11H2,(H,15,17)
InChIKeyHHTBFWZVEBJAMD-UHFFFAOYSA-N
XLogP2.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclooctanecarboxamide?
The IUPAC name of N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclooctanecarboxamide (CID 80717782) is N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclooctanecarboxamide.
What is the SMILES notation for N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclooctanecarboxamide?
The canonical SMILES for N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclooctanecarboxamide is O=C(NCC1(CO)CC1)C1CCCCCCC1.
What is the InChIKey of N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclooctanecarboxamide?
The InChIKey is HHTBFWZVEBJAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c16-11-14(8-9-14)10-15-13(17)12-6-4-2-1-3-5-7-12/h12,16H,1-11H2,(H,15,17).
What are the key properties of N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclooctanecarboxamide?
N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclooctanecarboxamide has a molecular weight of 239.36 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(hydroxymethyl)cyclopropyl]methyl]cyclooctanecarboxamide is sourced from PubChem (CID 80717782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).