prop-2-enyl N-(2-aminopropyl)carbamate

C7H14N2O2 — CID 11321103

IUPACprop-2-enyl N-(2-aminopropyl)carbamate
SMILESC=CCOC(=O)NCC(C)N
InChIInChI=1S/C7H14N2O2/c1-3-4-11-7(10)9-5-6(2)8/h3,6H,1,4-5,8H2,2H3,(H,9,10)
InChIKeyKFHBQOZTOUWWKW-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.25
Rot. Bonds4

About prop-2-enyl N-(2-aminopropyl)carbamate

prop-2-enyl N-(2-aminopropyl)carbamate (PubChem CID 11321103) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is prop-2-enyl N-(2-aminopropyl)carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-(2-aminopropyl)carbamate
PubChem CID11321103
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Nameprop-2-enyl N-(2-aminopropyl)carbamate
SMILESC=CCOC(=O)NCC(C)N
InChIInChI=1S/C7H14N2O2/c1-3-4-11-7(10)9-5-6(2)8/h3,6H,1,4-5,8H2,2H3,(H,9,10)
InChIKeyKFHBQOZTOUWWKW-UHFFFAOYSA-N
XLogP0.25
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.25
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

3-methyl-2-[(prop-2-enoxycarbonylamino)methyl]butanoic acid
CID 65220019
(2R)-2-[(prop-2-enoxycarbonylamino)methyl]butanoic acid
CID 167742277
N-(2-aminopropyl)but-3-enamide
CID 63731694
N-(2-aminopropyl)prop-2-enamide
CID 19993421
prop-2-enyl 2-aminopropanoate
CID 91515395
prop-2-enyl N-[(2S,3R)-3-hydroxy-2-[(prop-2-enoxycarbonylamino)methyl]butyl]-N-methylcarbamate
CID 57160385
prop-2-enyl N-[3-hydroxy-2-[(prop-2-enoxycarbonylamino)methyl]butyl]-N-methylcarbamate
CID 19099346
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
prop-2-enyl N-[[(2S)-1-amino-1-oxopropan-2-yl]amino]carbamate
CID 22826694
methyl (2S)-2-[[2-(prop-2-enoxycarbonylamino)acetyl]amino]propanoate
CID 164673637
tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride
CID 53484846
prop-2-enyl N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]carbamate
CID 89280805

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N-(2-aminopropyl)carbamate?
The IUPAC name of prop-2-enyl N-(2-aminopropyl)carbamate (CID 11321103) is prop-2-enyl N-(2-aminopropyl)carbamate.
What is the SMILES notation for prop-2-enyl N-(2-aminopropyl)carbamate?
The canonical SMILES for prop-2-enyl N-(2-aminopropyl)carbamate is C=CCOC(=O)NCC(C)N.
What is the InChIKey of prop-2-enyl N-(2-aminopropyl)carbamate?
The InChIKey is KFHBQOZTOUWWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-3-4-11-7(10)9-5-6(2)8/h3,6H,1,4-5,8H2,2H3,(H,9,10).
What are the key properties of prop-2-enyl N-(2-aminopropyl)carbamate?
prop-2-enyl N-(2-aminopropyl)carbamate has a molecular weight of 158.20 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-(2-aminopropyl)carbamate is sourced from PubChem (CID 11321103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).