N-(2-aminoethyl)-N-[[(E)-prop-1-enyl]carbamoyl]acetamide

C8H15N3O2 — CID 108909643

IUPACN-(2-aminoethyl)-N-[[(E)-prop-1-enyl]carbamoyl]acetamide
SMILESC/C=C/NC(=O)N(CCN)C(C)=O
InChIInChI=1S/C8H15N3O2/c1-3-5-10-8(13)11(6-4-9)7(2)12/h3,5H,4,6,9H2,1-2H3,(H,10,13)/b5-3+
InChIKeyZKYGWQBNVKXXLX-HWKANZROSA-N
MW185.23 g/mol
LogP0.04
Rot. Bonds3

About N-(2-aminoethyl)-N-[[(E)-prop-1-enyl]carbamoyl]acetamide

N-(2-aminoethyl)-N-[[(E)-prop-1-enyl]carbamoyl]acetamide (PubChem CID 108909643) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-[[(E)-prop-1-enyl]carbamoyl]acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-[[(E)-prop-1-enyl]carbamoyl]acetamide
PubChem CID108909643
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC NameN-(2-aminoethyl)-N-[[(E)-prop-1-enyl]carbamoyl]acetamide
SMILESC/C=C/NC(=O)N(CCN)C(C)=O
InChIInChI=1S/C8H15N3O2/c1-3-5-10-8(13)11(6-4-9)7(2)12/h3,5H,4,6,9H2,1-2H3,(H,10,13)/b5-3+
InChIKeyZKYGWQBNVKXXLX-HWKANZROSA-N
XLogP0.04
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dioxopyrimidin-1-yl)-N-propylacetamide
CID 30662441
4-acetyl-N-ethyl-2,3-dihydropyrazine-1-carboxamide
CID 146035530
1,3-Dimethyl-5-allylaminouracil
CID 13546429
3-Methyl-1-prop-2-enyl-6-(prop-2-enylamino)pyrimidine-2,4-dione
CID 3267352
2-(2,4-Dioxopyrimidin-1-yl)ethyl-methyl-bis(prop-2-enyl)azanium bromide
CID 11759296
Gomnpjbjfbkzie-uhfffaoysa-
CID 13085945
1,3-Dimethyl-6-(allylamino)uracil
CID 1712435
3-(2-Aminoethyl)pyrimidine-2,4(1H,3H)-dione
CID 13828992
N-[2-(2,6-dihydro-1H-pyrimidin-3-yl)ethyl]acetamide
CID 21315965
N-[2-(2-methyl-2,6-dihydro-1H-pyrimidin-3-yl)ethyl]propanamide
CID 22749212
N-[2-(2,6-dihydro-1H-pyrimidin-3-yl)ethyl]propanamide
CID 22749213
N-[2-(2-oxo-1H-imidazol-3-yl)ethyl]prop-2-enamide
CID 23131162

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-[[(E)-prop-1-enyl]carbamoyl]acetamide?
The IUPAC name of N-(2-aminoethyl)-N-[[(E)-prop-1-enyl]carbamoyl]acetamide (CID 108909643) is N-(2-aminoethyl)-N-[[(E)-prop-1-enyl]carbamoyl]acetamide.
What is the SMILES notation for N-(2-aminoethyl)-N-[[(E)-prop-1-enyl]carbamoyl]acetamide?
The canonical SMILES for N-(2-aminoethyl)-N-[[(E)-prop-1-enyl]carbamoyl]acetamide is C/C=C/NC(=O)N(CCN)C(C)=O.
What is the InChIKey of N-(2-aminoethyl)-N-[[(E)-prop-1-enyl]carbamoyl]acetamide?
The InChIKey is ZKYGWQBNVKXXLX-HWKANZROSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-3-5-10-8(13)11(6-4-9)7(2)12/h3,5H,4,6,9H2,1-2H3,(H,10,13)/b5-3+.
What are the key properties of N-(2-aminoethyl)-N-[[(E)-prop-1-enyl]carbamoyl]acetamide?
N-(2-aminoethyl)-N-[[(E)-prop-1-enyl]carbamoyl]acetamide has a molecular weight of 185.23 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-[[(E)-prop-1-enyl]carbamoyl]acetamide is sourced from PubChem (CID 108909643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).