N-[(1-hydroxycyclopentyl)methyl]-N-methylpent-4-ynamide

C12H19NO2 — CID 107262080

IUPACN-[(1-hydroxycyclopentyl)methyl]-N-methylpent-4-ynamide
SMILESC#CCCC(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C12H19NO2/c1-3-4-7-11(14)13(2)10-12(15)8-5-6-9-12/h1,15H,4-10H2,2H3
InChIKeyWPTQMDMWRLISEB-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.16
Rot. Bonds4

About N-[(1-hydroxycyclopentyl)methyl]-N-methylpent-4-ynamide

N-[(1-hydroxycyclopentyl)methyl]-N-methylpent-4-ynamide (PubChem CID 107262080) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-N-methylpent-4-ynamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-N-methylpent-4-ynamide
PubChem CID107262080
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-N-methylpent-4-ynamide
SMILESC#CCCC(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C12H19NO2/c1-3-4-7-11(14)13(2)10-12(15)8-5-6-9-12/h1,15H,4-10H2,2H3
InChIKeyWPTQMDMWRLISEB-UHFFFAOYSA-N
XLogP1.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-N-methylpent-4-ynamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-N-methylpent-4-ynamide (CID 107262080) is N-[(1-hydroxycyclopentyl)methyl]-N-methylpent-4-ynamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-N-methylpent-4-ynamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-N-methylpent-4-ynamide is C#CCCC(=O)N(C)CC1(O)CCCC1.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-N-methylpent-4-ynamide?
The InChIKey is WPTQMDMWRLISEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-4-7-11(14)13(2)10-12(15)8-5-6-9-12/h1,15H,4-10H2,2H3.
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-N-methylpent-4-ynamide?
N-[(1-hydroxycyclopentyl)methyl]-N-methylpent-4-ynamide has a molecular weight of 209.29 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-N-methylpent-4-ynamide is sourced from PubChem (CID 107262080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).