3-imidazolidin-1-ylpropanal

C6H12N2O — CID 56999085

IUPAC3-imidazolidin-1-ylpropanal
SMILESO=CCCN1CCNC1
InChIInChI=1S/C6H12N2O/c9-5-1-3-8-4-2-7-6-8/h5,7H,1-4,6H2
InChIKeyCGLVIABYSXZZRQ-UHFFFAOYSA-N
MW128.18 g/mol
LogP-0.56
Rot. Bonds3

About 3-imidazolidin-1-ylpropanal

3-imidazolidin-1-ylpropanal (PubChem CID 56999085) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is 3-imidazolidin-1-ylpropanal.

Molecular Properties

Compound Name3-imidazolidin-1-ylpropanal
PubChem CID56999085
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name3-imidazolidin-1-ylpropanal
SMILESO=CCCN1CCNC1
InChIInChI=1S/C6H12N2O/c9-5-1-3-8-4-2-7-6-8/h5,7H,1-4,6H2
InChIKeyCGLVIABYSXZZRQ-UHFFFAOYSA-N
XLogP-0.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(3-oxopropyl)piperazin-1-yl]propanal
CID 137349424
1-(2-chloroethyl)imidazolidine
CID 66872151
3-[3,5-bis(3-oxopropyl)-1,3,5-triazinan-1-yl]propanal
CID 150204352
3-hydroxy-7-imidazolidin-1-ylhept-3-enoic acid
CID 174464375
3-[4-(2-oxoethyl)piperazin-1-yl]propanal
CID 171115042
2-piperazin-1-ylacetaldehyde;hydrochloride
CID 129057449
molecular iodine;2-piperazin-1-ylacetaldehyde
CID 159058058
3-[4-(piperazin-1-ylmethyl)phenyl]propanal
CID 117336777
6-imidazolidin-1-yl-2-methylhexan-3-one
CID 58309908
1-(2-imidazolidin-1-ylethylamino)-3-prop-2-enoxypropan-2-ol
CID 67895850
3-[4-(3-methylbutyl)piperazin-1-yl]propanal
CID 164535551
(E)-5-piperazin-1-ylpent-3-enal
CID 115013452

Frequently Asked Questions

What is the IUPAC name of 3-imidazolidin-1-ylpropanal?
The IUPAC name of 3-imidazolidin-1-ylpropanal (CID 56999085) is 3-imidazolidin-1-ylpropanal.
What is the SMILES notation for 3-imidazolidin-1-ylpropanal?
The canonical SMILES for 3-imidazolidin-1-ylpropanal is O=CCCN1CCNC1.
What is the InChIKey of 3-imidazolidin-1-ylpropanal?
The InChIKey is CGLVIABYSXZZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c9-5-1-3-8-4-2-7-6-8/h5,7H,1-4,6H2.
What are the key properties of 3-imidazolidin-1-ylpropanal?
3-imidazolidin-1-ylpropanal has a molecular weight of 128.18 g/mol, XLogP of -0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazolidin-1-ylpropanal is sourced from PubChem (CID 56999085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).