[(1S,2R)-2-hydroxycyclopropyl]-dimethyl-prop-2-ynylazanium

C8H14NO+ — CID 160919925

IUPAC[(1S,2R)-2-hydroxycyclopropyl]-dimethyl-prop-2-ynylazanium
SMILESC#CC[N+](C)(C)[C@H]1C[C@H]1O
InChIInChI=1S/C8H14NO/c1-4-5-9(2,3)7-6-8(7)10/h1,7-8,10H,5-6H2,2-3H3/q+1/t7-,8+/m0/s1
InChIKeySRWVRHIZQCWXED-JGVFFNPUSA-N
MW140.21 g/mol
LogP-0.17
Rot. Bonds2

About [(1S,2R)-2-hydroxycyclopropyl]-dimethyl-prop-2-ynylazanium

[(1S,2R)-2-hydroxycyclopropyl]-dimethyl-prop-2-ynylazanium (PubChem CID 160919925) has the molecular formula C8H14NO+ and a molecular weight of 140.21 g/mol. Its IUPAC name is [(1S,2R)-2-hydroxycyclopropyl]-dimethyl-prop-2-ynylazanium.

Molecular Properties

Compound Name[(1S,2R)-2-hydroxycyclopropyl]-dimethyl-prop-2-ynylazanium
PubChem CID160919925
Molecular FormulaC8H14NO+
Molecular Weight140.21 g/mol
Exact Mass140.11
IUPAC Name[(1S,2R)-2-hydroxycyclopropyl]-dimethyl-prop-2-ynylazanium
SMILESC#CC[N+](C)(C)[C@H]1C[C@H]1O
InChIInChI=1S/C8H14NO/c1-4-5-9(2,3)7-6-8(7)10/h1,7-8,10H,5-6H2,2-3H3/q+1/t7-,8+/m0/s1
InChIKeySRWVRHIZQCWXED-JGVFFNPUSA-N
XLogP-0.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-hydroxycyclopropyl]-dimethyl-prop-2-ynylazanium?
The IUPAC name of [(1S,2R)-2-hydroxycyclopropyl]-dimethyl-prop-2-ynylazanium (CID 160919925) is [(1S,2R)-2-hydroxycyclopropyl]-dimethyl-prop-2-ynylazanium.
What is the SMILES notation for [(1S,2R)-2-hydroxycyclopropyl]-dimethyl-prop-2-ynylazanium?
The canonical SMILES for [(1S,2R)-2-hydroxycyclopropyl]-dimethyl-prop-2-ynylazanium is C#CC[N+](C)(C)[C@H]1C[C@H]1O.
What is the InChIKey of [(1S,2R)-2-hydroxycyclopropyl]-dimethyl-prop-2-ynylazanium?
The InChIKey is SRWVRHIZQCWXED-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H14NO/c1-4-5-9(2,3)7-6-8(7)10/h1,7-8,10H,5-6H2,2-3H3/q+1/t7-,8+/m0/s1.
What are the key properties of [(1S,2R)-2-hydroxycyclopropyl]-dimethyl-prop-2-ynylazanium?
[(1S,2R)-2-hydroxycyclopropyl]-dimethyl-prop-2-ynylazanium has a molecular weight of 140.21 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-hydroxycyclopropyl]-dimethyl-prop-2-ynylazanium is sourced from PubChem (CID 160919925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).