N-(4-prop-2-ynoxyphenyl)formamide

C10H9NO2 — CID 130718440

IUPACN-(4-prop-2-ynoxyphenyl)formamide
SMILESC#CCOc1ccc(NC=O)cc1
InChIInChI=1S/C10H9NO2/c1-2-7-13-10-5-3-9(4-6-10)11-8-12/h1,3-6,8H,7H2,(H,11,12)
InChIKeyVHTMAXUXBWJASQ-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.27
Rot. Bonds4

About N-(4-prop-2-ynoxyphenyl)formamide

N-(4-prop-2-ynoxyphenyl)formamide (PubChem CID 130718440) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is N-(4-prop-2-ynoxyphenyl)formamide.

Molecular Properties

Compound NameN-(4-prop-2-ynoxyphenyl)formamide
PubChem CID130718440
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC NameN-(4-prop-2-ynoxyphenyl)formamide
SMILESC#CCOc1ccc(NC=O)cc1
InChIInChI=1S/C10H9NO2/c1-2-7-13-10-5-3-9(4-6-10)11-8-12/h1,3-6,8H,7H2,(H,11,12)
InChIKeyVHTMAXUXBWJASQ-UHFFFAOYSA-N
XLogP1.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-oxo-4-(4-prop-2-ynoxyanilino)but-2-enoic acid
CID 174335661
N-[4-(2-methylprop-2-enoxy)phenyl]formamide
CID 10559618
1-ethoxy-4-prop-2-ynoxybenzene
CID 20701293
4-prop-2-ynoxybenzenethiol
CID 155088552
N-(4-methylphenyl)-4-prop-2-ynoxybenzenesulfonamide
CID 141457876
2,6-bis(prop-2-ynoxy)naphthalene
CID 12710422
N-[4-(thiophen-2-ylmethoxy)phenyl]formamide
CID 168653382
(E)-2-cyano-N-(4-hydroxyphenyl)-3-(4-prop-2-ynoxyphenyl)prop-2-enamide
CID 6021141
N-methyl-1-(4-prop-2-ynoxyphenyl)methanamine
CID 60809338
1-(3-hydroxypropyl)-3-(4-prop-2-ynoxyphenyl)urea
CID 111109521
1-hydroxy-N-(4-prop-2-ynoxyphenyl)cyclopentane-1-carboxamide
CID 111109306
(Z)-2-cyano-N-(4-ethoxyphenyl)-3-(4-prop-2-ynoxyphenyl)prop-2-enamide
CID 48836654

Frequently Asked Questions

What is the IUPAC name of N-(4-prop-2-ynoxyphenyl)formamide?
The IUPAC name of N-(4-prop-2-ynoxyphenyl)formamide (CID 130718440) is N-(4-prop-2-ynoxyphenyl)formamide.
What is the SMILES notation for N-(4-prop-2-ynoxyphenyl)formamide?
The canonical SMILES for N-(4-prop-2-ynoxyphenyl)formamide is C#CCOc1ccc(NC=O)cc1.
What is the InChIKey of N-(4-prop-2-ynoxyphenyl)formamide?
The InChIKey is VHTMAXUXBWJASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-2-7-13-10-5-3-9(4-6-10)11-8-12/h1,3-6,8H,7H2,(H,11,12).
What are the key properties of N-(4-prop-2-ynoxyphenyl)formamide?
N-(4-prop-2-ynoxyphenyl)formamide has a molecular weight of 175.19 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-prop-2-ynoxyphenyl)formamide is sourced from PubChem (CID 130718440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).