N-(oxan-4-yl)-N-prop-2-enylformamide

C9H15NO2 — CID 145331941

IUPACN-(oxan-4-yl)-N-prop-2-enylformamide
SMILESC=CCN(C=O)C1CCOCC1
InChIInChI=1S/C9H15NO2/c1-2-5-10(8-11)9-3-6-12-7-4-9/h2,8-9H,1,3-7H2
InChIKeyYDBUYOADDXSSOO-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.81
Rot. Bonds4

About N-(oxan-4-yl)-N-prop-2-enylformamide

N-(oxan-4-yl)-N-prop-2-enylformamide (PubChem CID 145331941) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-(oxan-4-yl)-N-prop-2-enylformamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-N-prop-2-enylformamide
PubChem CID145331941
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-(oxan-4-yl)-N-prop-2-enylformamide
SMILESC=CCN(C=O)C1CCOCC1
InChIInChI=1S/C9H15NO2/c1-2-5-10(8-11)9-3-6-12-7-4-9/h2,8-9H,1,3-7H2
InChIKeyYDBUYOADDXSSOO-UHFFFAOYSA-N
XLogP0.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,5-dimethylphenyl)methyl]-N-(oxan-4-yl)formamide
CID 145338580
N-[1-[[3-[dimethylsulfinamoyl(methyl)amino]cyclopentyl]methyl]piperidin-4-yl]-N-prop-2-enylformamide
CID 142033561
2-[methyl(oxolan-3-yl)amino]acetaldehyde
CID 82742163
1-(oxan-4-yl)pent-4-en-2-one
CID 116659446
(E)-4-[ethyl(oxan-4-yl)amino]-4-oxobut-2-enoic acid
CID 121203506
2-[oxan-4-ylsulfonyl(prop-2-enyl)amino]acetic acid
CID 79264786
N,N-bis(prop-2-enyl)oxetan-3-amine
CID 118174858
N-methyl-N-(oxolan-3-yl)-2-(prop-2-enylamino)acetamide
CID 82737943
N-(2-aminoethyl)-N-cyclopropylformamide
CID 82502405
3-prop-2-enyloxolane
CID 22481091
2-[[2-(oxan-4-ylamino)-2-oxoethyl]-prop-2-enylamino]acetic acid
CID 79277104
N'-methyl-N'-(oxolan-3-yl)-N-prop-2-enylethane-1,2-diamine
CID 82739917

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-N-prop-2-enylformamide?
The IUPAC name of N-(oxan-4-yl)-N-prop-2-enylformamide (CID 145331941) is N-(oxan-4-yl)-N-prop-2-enylformamide.
What is the SMILES notation for N-(oxan-4-yl)-N-prop-2-enylformamide?
The canonical SMILES for N-(oxan-4-yl)-N-prop-2-enylformamide is C=CCN(C=O)C1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-N-prop-2-enylformamide?
The InChIKey is YDBUYOADDXSSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-5-10(8-11)9-3-6-12-7-4-9/h2,8-9H,1,3-7H2.
What are the key properties of N-(oxan-4-yl)-N-prop-2-enylformamide?
N-(oxan-4-yl)-N-prop-2-enylformamide has a molecular weight of 169.22 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-N-prop-2-enylformamide is sourced from PubChem (CID 145331941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).