N'-(2-aminopropanoyl)-2-methylprop-2-enehydrazide

C7H13N3O2 — CID 175440169

IUPACN'-(2-aminopropanoyl)-2-methylprop-2-enehydrazide
SMILESC=C(C)C(=O)NNC(=O)C(C)N
InChIInChI=1S/C7H13N3O2/c1-4(2)6(11)9-10-7(12)5(3)8/h5H,1,8H2,2-3H3,(H,9,11)(H,10,12)
InChIKeyNFMTVPRYUHJYTL-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.94
Rot. Bonds2

About N'-(2-aminopropanoyl)-2-methylprop-2-enehydrazide

N'-(2-aminopropanoyl)-2-methylprop-2-enehydrazide (PubChem CID 175440169) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is N'-(2-aminopropanoyl)-2-methylprop-2-enehydrazide.

Molecular Properties

Compound NameN'-(2-aminopropanoyl)-2-methylprop-2-enehydrazide
PubChem CID175440169
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC NameN'-(2-aminopropanoyl)-2-methylprop-2-enehydrazide
SMILESC=C(C)C(=O)NNC(=O)C(C)N
InChIInChI=1S/C7H13N3O2/c1-4(2)6(11)9-10-7(12)5(3)8/h5H,1,8H2,2-3H3,(H,9,11)(H,10,12)
InChIKeyNFMTVPRYUHJYTL-UHFFFAOYSA-N
XLogP-0.94
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2S)-2-aminopropanoyl]-2-methylprop-2-enamide
CID 20633703
2-amino-N'-propanoylpropanehydrazide
CID 82111229
N'-(2-aminoacetyl)-2-methylprop-2-enehydrazide;hydrochloride
CID 18998007
2-[2-(2-methylprop-2-enoyl)hydrazinyl]propanoic acid
CID 88922229
2-methyl-N-[(2R,3S)-3-(2-methylprop-2-enoylamino)butan-2-yl]prop-2-enamide
CID 167017883
2-amino-N-(2-methylprop-2-enoxy)propanamide
CID 131226983
3-methyl-N'-(2-methylprop-2-enoyl)but-2-enehydrazide
CID 139963351
(2R)-2-aminopropanoic acid;2-methylprop-2-enamide
CID 175865115
acetic acid;2-amino-N-methylpropanamide
CID 71335706
2-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]prop-2-enamide
CID 23064653
2-amino-N-cyanopropanamide
CID 79205051
N'-ethyl-2-methylprop-2-enehydrazide
CID 18424014

Frequently Asked Questions

What is the IUPAC name of N'-(2-aminopropanoyl)-2-methylprop-2-enehydrazide?
The IUPAC name of N'-(2-aminopropanoyl)-2-methylprop-2-enehydrazide (CID 175440169) is N'-(2-aminopropanoyl)-2-methylprop-2-enehydrazide.
What is the SMILES notation for N'-(2-aminopropanoyl)-2-methylprop-2-enehydrazide?
The canonical SMILES for N'-(2-aminopropanoyl)-2-methylprop-2-enehydrazide is C=C(C)C(=O)NNC(=O)C(C)N.
What is the InChIKey of N'-(2-aminopropanoyl)-2-methylprop-2-enehydrazide?
The InChIKey is NFMTVPRYUHJYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-4(2)6(11)9-10-7(12)5(3)8/h5H,1,8H2,2-3H3,(H,9,11)(H,10,12).
What are the key properties of N'-(2-aminopropanoyl)-2-methylprop-2-enehydrazide?
N'-(2-aminopropanoyl)-2-methylprop-2-enehydrazide has a molecular weight of 171.20 g/mol, XLogP of -0.94, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-aminopropanoyl)-2-methylprop-2-enehydrazide is sourced from PubChem (CID 175440169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).