3-phenylpropyl N-hydroxymethanimidate

C10H13NO2 — CID 174745582

IUPAC3-phenylpropyl N-hydroxymethanimidate
SMILESON=COCCCc1ccccc1
InChIInChI=1S/C10H13NO2/c12-11-9-13-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9,12H,4,7-8H2
InChIKeyHTGXOLWMQQBCJF-UHFFFAOYSA-N
MW179.22 g/mol
LogP2.05
Rot. Bonds5

About 3-phenylpropyl N-hydroxymethanimidate

3-phenylpropyl N-hydroxymethanimidate (PubChem CID 174745582) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-phenylpropyl N-hydroxymethanimidate.

Molecular Properties

Compound Name3-phenylpropyl N-hydroxymethanimidate
PubChem CID174745582
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name3-phenylpropyl N-hydroxymethanimidate
SMILESON=COCCCc1ccccc1
InChIInChI=1S/C10H13NO2/c12-11-9-13-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9,12H,4,7-8H2
InChIKeyHTGXOLWMQQBCJF-UHFFFAOYSA-N
XLogP2.05
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl N-hydroxymethanimidate
CID 134694398
dihydroxy-(3-phenylpropoxy)-sulfanylidene-λ5-phosphane
CID 150954561
18-phenyloctadecyl formate
CID 173425595
benzylethoxysilane
CID 66773279
4-phenylbutylbenzene
CID 141301927
bis(3-phenylpropyl) hexanedioate
CID 59854363
(NE)-N-(3-phenylpropylidene)(15N)hydroxylamine
CID 10534827
bis(3-phenylpropyl) decanedioate
CID 91710064
1-(3-phenylpropoxy)pyridin-1-ium
CID 58571742
methane;4-phenylbutylbenzene
CID 173386802
1,4-bis(3-phenylpropyl)benzene
CID 59467322
hafnium;4-phenylbutylbenzene
CID 175889972

Frequently Asked Questions

What is the IUPAC name of 3-phenylpropyl N-hydroxymethanimidate?
The IUPAC name of 3-phenylpropyl N-hydroxymethanimidate (CID 174745582) is 3-phenylpropyl N-hydroxymethanimidate.
What is the SMILES notation for 3-phenylpropyl N-hydroxymethanimidate?
The canonical SMILES for 3-phenylpropyl N-hydroxymethanimidate is ON=COCCCc1ccccc1.
What is the InChIKey of 3-phenylpropyl N-hydroxymethanimidate?
The InChIKey is HTGXOLWMQQBCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c12-11-9-13-8-4-7-10-5-2-1-3-6-10/h1-3,5-6,9,12H,4,7-8H2.
What are the key properties of 3-phenylpropyl N-hydroxymethanimidate?
3-phenylpropyl N-hydroxymethanimidate has a molecular weight of 179.22 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpropyl N-hydroxymethanimidate is sourced from PubChem (CID 174745582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).