4-amino-N-prop-2-enyloxane-4-carboxamide

C9H16N2O2 — CID 115293592

IUPAC4-amino-N-prop-2-enyloxane-4-carboxamide
SMILESC=CCNC(=O)C1(N)CCOCC1
InChIInChI=1S/C9H16N2O2/c1-2-5-11-8(12)9(10)3-6-13-7-4-9/h2H,1,3-7,10H2,(H,11,12)
InChIKeyXSSBGSDYXAMTAV-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.20
Rot. Bonds3

About 4-amino-N-prop-2-enyloxane-4-carboxamide

4-amino-N-prop-2-enyloxane-4-carboxamide (PubChem CID 115293592) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 4-amino-N-prop-2-enyloxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-prop-2-enyloxane-4-carboxamide
PubChem CID115293592
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name4-amino-N-prop-2-enyloxane-4-carboxamide
SMILESC=CCNC(=O)C1(N)CCOCC1
InChIInChI=1S/C9H16N2O2/c1-2-5-11-8(12)9(10)3-6-13-7-4-9/h2H,1,3-7,10H2,(H,11,12)
InChIKeyXSSBGSDYXAMTAV-UHFFFAOYSA-N
XLogP-0.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(2-aminoethyl)oxane-4-carboxamide
CID 115294627
4-amino-N-(2-hydroxyethyl)oxane-4-carboxamide
CID 115293654
4-amino-N-[2-(carbamoylamino)ethyl]oxane-4-carboxamide
CID 115556917
4-amino-N-but-3-ynyloxane-4-carboxamide
CID 115294969
4-amino-N-butyloxane-4-carboxamide
CID 115293500
4-amino-N-hex-5-ynyloxane-4-carboxamide
CID 103950464
1-N'-(2-methylpropyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970779
4-amino-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide
CID 102905819
7-[(4-aminooxane-4-carbonyl)amino]heptanoic acid
CID 115294507
4-amino-N-(2-ethyl-2-methylsulfanylbutyl)oxane-4-carboxamide
CID 113335034
2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-N-prop-2-enylpropanamide
CID 114952822
4-(aminomethyl)-N-[4-(prop-2-enylcarbamoyl)phenyl]oxane-4-carboxamide
CID 120926631

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-prop-2-enyloxane-4-carboxamide?
The IUPAC name of 4-amino-N-prop-2-enyloxane-4-carboxamide (CID 115293592) is 4-amino-N-prop-2-enyloxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-prop-2-enyloxane-4-carboxamide?
The canonical SMILES for 4-amino-N-prop-2-enyloxane-4-carboxamide is C=CCNC(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-prop-2-enyloxane-4-carboxamide?
The InChIKey is XSSBGSDYXAMTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-2-5-11-8(12)9(10)3-6-13-7-4-9/h2H,1,3-7,10H2,(H,11,12).
What are the key properties of 4-amino-N-prop-2-enyloxane-4-carboxamide?
4-amino-N-prop-2-enyloxane-4-carboxamide has a molecular weight of 184.24 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-prop-2-enyloxane-4-carboxamide is sourced from PubChem (CID 115293592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).