5-(hydroxymethyl)heptanamide

C8H17NO2 — CID 57143587

IUPAC5-(hydroxymethyl)heptanamide
SMILESCCC(CO)CCCC(N)=O
InChIInChI=1S/C8H17NO2/c1-2-7(6-10)4-3-5-8(9)11/h7,10H,2-6H2,1H3,(H2,9,11)
InChIKeySRLCBXSBHGZKRP-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.66
Rot. Bonds6

About 5-(hydroxymethyl)heptanamide

5-(hydroxymethyl)heptanamide (PubChem CID 57143587) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 5-(hydroxymethyl)heptanamide.

Molecular Properties

Compound Name5-(hydroxymethyl)heptanamide
PubChem CID57143587
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name5-(hydroxymethyl)heptanamide
SMILESCCC(CO)CCCC(N)=O
InChIInChI=1S/C8H17NO2/c1-2-7(6-10)4-3-5-8(9)11/h7,10H,2-6H2,1H3,(H2,9,11)
InChIKeySRLCBXSBHGZKRP-UHFFFAOYSA-N
XLogP0.66
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)heptanamide?
The IUPAC name of 5-(hydroxymethyl)heptanamide (CID 57143587) is 5-(hydroxymethyl)heptanamide.
What is the SMILES notation for 5-(hydroxymethyl)heptanamide?
The canonical SMILES for 5-(hydroxymethyl)heptanamide is CCC(CO)CCCC(N)=O.
What is the InChIKey of 5-(hydroxymethyl)heptanamide?
The InChIKey is SRLCBXSBHGZKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-2-7(6-10)4-3-5-8(9)11/h7,10H,2-6H2,1H3,(H2,9,11).
What are the key properties of 5-(hydroxymethyl)heptanamide?
5-(hydroxymethyl)heptanamide has a molecular weight of 159.23 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)heptanamide is sourced from PubChem (CID 57143587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).