7-pyrrol-1-ylheptanamide

C11H18N2O — CID 18990800

IUPAC7-pyrrol-1-ylheptanamide
SMILESNC(=O)CCCCCCn1cccc1
InChIInChI=1S/C11H18N2O/c12-11(14)7-3-1-2-4-8-13-9-5-6-10-13/h5-6,9-10H,1-4,7-8H2,(H2,12,14)
InChIKeyNDUFEDHQTJJCBH-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.92
Rot. Bonds7

About 7-pyrrol-1-ylheptanamide

7-pyrrol-1-ylheptanamide (PubChem CID 18990800) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 7-pyrrol-1-ylheptanamide.

Molecular Properties

Compound Name7-pyrrol-1-ylheptanamide
PubChem CID18990800
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name7-pyrrol-1-ylheptanamide
SMILESNC(=O)CCCCCCn1cccc1
InChIInChI=1S/C11H18N2O/c12-11(14)7-3-1-2-4-8-13-9-5-6-10-13/h5-6,9-10H,1-4,7-8H2,(H2,12,14)
InChIKeyNDUFEDHQTJJCBH-UHFFFAOYSA-N
XLogP1.92
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-pyrrol-1-ylheptanamide?
The IUPAC name of 7-pyrrol-1-ylheptanamide (CID 18990800) is 7-pyrrol-1-ylheptanamide.
What is the SMILES notation for 7-pyrrol-1-ylheptanamide?
The canonical SMILES for 7-pyrrol-1-ylheptanamide is NC(=O)CCCCCCn1cccc1.
What is the InChIKey of 7-pyrrol-1-ylheptanamide?
The InChIKey is NDUFEDHQTJJCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c12-11(14)7-3-1-2-4-8-13-9-5-6-10-13/h5-6,9-10H,1-4,7-8H2,(H2,12,14).
What are the key properties of 7-pyrrol-1-ylheptanamide?
7-pyrrol-1-ylheptanamide has a molecular weight of 194.28 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyrrol-1-ylheptanamide is sourced from PubChem (CID 18990800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).