N-[(1S)-1-aminoethyl]-N-[[(Z)-prop-1-enyl]iminomethyl]formamide

C7H13N3O — CID 134448047

IUPACN-[(1S)-1-aminoethyl]-N-[[(Z)-prop-1-enyl]iminomethyl]formamide
SMILESC/C=C\N=C\N(C=O)[C@@H](C)N
InChIInChI=1S/C7H13N3O/c1-3-4-9-5-10(6-11)7(2)8/h3-7H,8H2,1-2H3/b4-3-,9-5+/t7-/m0/s1
InChIKeyVSAGYJWXMFSYSO-FYFVAZHESA-N
MW155.20 g/mol
LogP0.31
Rot. Bonds4

About N-[(1S)-1-aminoethyl]-N-[[(Z)-prop-1-enyl]iminomethyl]formamide

N-[(1S)-1-aminoethyl]-N-[[(Z)-prop-1-enyl]iminomethyl]formamide (PubChem CID 134448047) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is N-[(1S)-1-aminoethyl]-N-[[(Z)-prop-1-enyl]iminomethyl]formamide.

Molecular Properties

Compound NameN-[(1S)-1-aminoethyl]-N-[[(Z)-prop-1-enyl]iminomethyl]formamide
PubChem CID134448047
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC NameN-[(1S)-1-aminoethyl]-N-[[(Z)-prop-1-enyl]iminomethyl]formamide
SMILESC/C=C\N=C\N(C=O)[C@@H](C)N
InChIInChI=1S/C7H13N3O/c1-3-4-9-5-10(6-11)7(2)8/h3-7H,8H2,1-2H3/b4-3-,9-5+/t7-/m0/s1
InChIKeyVSAGYJWXMFSYSO-FYFVAZHESA-N
XLogP0.31
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-aminoethyl]-N-[[(Z)-prop-1-enyl]iminomethyl]formamide?
The IUPAC name of N-[(1S)-1-aminoethyl]-N-[[(Z)-prop-1-enyl]iminomethyl]formamide (CID 134448047) is N-[(1S)-1-aminoethyl]-N-[[(Z)-prop-1-enyl]iminomethyl]formamide.
What is the SMILES notation for N-[(1S)-1-aminoethyl]-N-[[(Z)-prop-1-enyl]iminomethyl]formamide?
The canonical SMILES for N-[(1S)-1-aminoethyl]-N-[[(Z)-prop-1-enyl]iminomethyl]formamide is C/C=C\N=C\N(C=O)[C@@H](C)N.
What is the InChIKey of N-[(1S)-1-aminoethyl]-N-[[(Z)-prop-1-enyl]iminomethyl]formamide?
The InChIKey is VSAGYJWXMFSYSO-FYFVAZHESA-N. The full InChI is InChI=1S/C7H13N3O/c1-3-4-9-5-10(6-11)7(2)8/h3-7H,8H2,1-2H3/b4-3-,9-5+/t7-/m0/s1.
What are the key properties of N-[(1S)-1-aminoethyl]-N-[[(Z)-prop-1-enyl]iminomethyl]formamide?
N-[(1S)-1-aminoethyl]-N-[[(Z)-prop-1-enyl]iminomethyl]formamide has a molecular weight of 155.20 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-aminoethyl]-N-[[(Z)-prop-1-enyl]iminomethyl]formamide is sourced from PubChem (CID 134448047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).