N-[(1-hydroxycyclobutyl)methyl]hept-6-ynamide

C12H19NO2 — CID 103908751

IUPACN-[(1-hydroxycyclobutyl)methyl]hept-6-ynamide
SMILESC#CCCCCC(=O)NCC1(O)CCC1
InChIInChI=1S/C12H19NO2/c1-2-3-4-5-7-11(14)13-10-12(15)8-6-9-12/h1,15H,3-10H2,(H,13,14)
InChIKeyFAAXPBWWAXGDNT-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.21
Rot. Bonds6

About N-[(1-hydroxycyclobutyl)methyl]hept-6-ynamide

N-[(1-hydroxycyclobutyl)methyl]hept-6-ynamide (PubChem CID 103908751) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]hept-6-ynamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]hept-6-ynamide
PubChem CID103908751
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]hept-6-ynamide
SMILESC#CCCCCC(=O)NCC1(O)CCC1
InChIInChI=1S/C12H19NO2/c1-2-3-4-5-7-11(14)13-10-12(15)8-6-9-12/h1,15H,3-10H2,(H,13,14)
InChIKeyFAAXPBWWAXGDNT-UHFFFAOYSA-N
XLogP1.21
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-hydroxycyclobutyl)methyl]pent-4-ynamide
CID 106741500
N-[(1-hydroxycyclobutyl)methyl]nonanamide
CID 115668880
4-cyclohexyl-N-[(1-hydroxycyclobutyl)methyl]butanamide
CID 115643503
N'-[(1-hydroxycycloheptyl)methyl]-N-prop-2-ynylpropanediamide
CID 110017495
N-hydroxyhept-6-ynamide
CID 71623064
N-[2-[(1-hydroxycyclobutyl)methylamino]-2-oxoethyl]butanamide
CID 111445246
N-[(1-hydroxycyclobutyl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111539371
N-[3-[(1-hydroxycyclobutyl)methylamino]-3-oxopropyl]cyclohexanecarboxamide
CID 111445220
N-[(1-hydroxycyclohexyl)methyl]-3-pyrrolidin-1-ylpropanamide
CID 79209328
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]hexanamide
CID 65118984
2-hydroxy-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 130634547
N-but-3-ynylhex-5-ynamide
CID 10630847

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]hept-6-ynamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]hept-6-ynamide (CID 103908751) is N-[(1-hydroxycyclobutyl)methyl]hept-6-ynamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]hept-6-ynamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]hept-6-ynamide is C#CCCCCC(=O)NCC1(O)CCC1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]hept-6-ynamide?
The InChIKey is FAAXPBWWAXGDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-3-4-5-7-11(14)13-10-12(15)8-6-9-12/h1,15H,3-10H2,(H,13,14).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]hept-6-ynamide?
N-[(1-hydroxycyclobutyl)methyl]hept-6-ynamide has a molecular weight of 209.29 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]hept-6-ynamide is sourced from PubChem (CID 103908751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).