formaldehyde;2-(prop-2-enoylamino)ethyl N-propan-2-ylcarbamate

C10H18N2O4 — CID 143586645

IUPACformaldehyde;2-(prop-2-enoylamino)ethyl N-propan-2-ylcarbamate
SMILESC=CC(=O)NCCOC(=O)NC(C)C.C=O
InChIInChI=1S/C9H16N2O3.CH2O/c1-4-8(12)10-5-6-14-9(13)11-7(2)3;1-2/h4,7H,1,5-6H2,2-3H3,(H,10,12)(H,11,13);1H2
InChIKeyGQNQUNWFTORCFV-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.24
Rot. Bonds5

About formaldehyde;2-(prop-2-enoylamino)ethyl N-propan-2-ylcarbamate

formaldehyde;2-(prop-2-enoylamino)ethyl N-propan-2-ylcarbamate (PubChem CID 143586645) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is formaldehyde;2-(prop-2-enoylamino)ethyl N-propan-2-ylcarbamate.

Molecular Properties

Compound Nameformaldehyde;2-(prop-2-enoylamino)ethyl N-propan-2-ylcarbamate
PubChem CID143586645
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Nameformaldehyde;2-(prop-2-enoylamino)ethyl N-propan-2-ylcarbamate
SMILESC=CC(=O)NCCOC(=O)NC(C)C.C=O
InChIInChI=1S/C9H16N2O3.CH2O/c1-4-8(12)10-5-6-14-9(13)11-7(2)3;1-2/h4,7H,1,5-6H2,2-3H3,(H,10,12)(H,11,13);1H2
InChIKeyGQNQUNWFTORCFV-UHFFFAOYSA-N
XLogP0.24
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formaldehyde;2-(prop-2-enoylamino)ethyl N-propan-2-ylcarbamate?
The IUPAC name of formaldehyde;2-(prop-2-enoylamino)ethyl N-propan-2-ylcarbamate (CID 143586645) is formaldehyde;2-(prop-2-enoylamino)ethyl N-propan-2-ylcarbamate.
What is the SMILES notation for formaldehyde;2-(prop-2-enoylamino)ethyl N-propan-2-ylcarbamate?
The canonical SMILES for formaldehyde;2-(prop-2-enoylamino)ethyl N-propan-2-ylcarbamate is C=CC(=O)NCCOC(=O)NC(C)C.C=O.
What is the InChIKey of formaldehyde;2-(prop-2-enoylamino)ethyl N-propan-2-ylcarbamate?
The InChIKey is GQNQUNWFTORCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3.CH2O/c1-4-8(12)10-5-6-14-9(13)11-7(2)3;1-2/h4,7H,1,5-6H2,2-3H3,(H,10,12)(H,11,13);1H2.
What are the key properties of formaldehyde;2-(prop-2-enoylamino)ethyl N-propan-2-ylcarbamate?
formaldehyde;2-(prop-2-enoylamino)ethyl N-propan-2-ylcarbamate has a molecular weight of 230.26 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;2-(prop-2-enoylamino)ethyl N-propan-2-ylcarbamate is sourced from PubChem (CID 143586645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).