butane;ethene;2-methylazetidine-2-carbaldehyde

C11H23NO — CID 143339554

IUPACbutane;ethene;2-methylazetidine-2-carbaldehyde
SMILESC=C.CC1(C=O)CCN1.CCCC
InChIInChI=1S/C5H9NO.C4H10.C2H4/c1-5(4-7)2-3-6-5;1-3-4-2;1-2/h4,6H,2-3H2,1H3;3-4H2,1-2H3;1-2H2
InChIKeyIBVAJYVXWBBMFV-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.55
Rot. Bonds2

About butane;ethene;2-methylazetidine-2-carbaldehyde

butane;ethene;2-methylazetidine-2-carbaldehyde (PubChem CID 143339554) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is butane;ethene;2-methylazetidine-2-carbaldehyde.

Molecular Properties

Compound Namebutane;ethene;2-methylazetidine-2-carbaldehyde
PubChem CID143339554
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Namebutane;ethene;2-methylazetidine-2-carbaldehyde
SMILESC=C.CC1(C=O)CCN1.CCCC
InChIInChI=1S/C5H9NO.C4H10.C2H4/c1-5(4-7)2-3-6-5;1-3-4-2;1-2/h4,6H,2-3H2,1H3;3-4H2,1-2H3;1-2H2
InChIKeyIBVAJYVXWBBMFV-UHFFFAOYSA-N
XLogP2.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylpyrrolidine-2-carbaldehyde;hydrochloride
CID 175842534
methanol;2-methylpyrrolidine-2-carbaldehyde
CID 143757683
2,4-dimethylpyrrolidine-2-carbaldehyde
CID 174809665
4-ethenylpiperidine-4-carbaldehyde;methoxyethane
CID 170591163
5-ethyl-1,4-diazepane-5-carbaldehyde
CID 134171585
butane;oxaldehyde
CID 87585246
6a-butyl-3a-methyl-1,2,3,4,5,6-hexahydropyrrolo[2,3-c]pyrrole
CID 142638690
butane;formaldehyde
CID 19870810
4,4-diethoxy-2,2-dimethylpiperidine
CID 166543313
2-(4-methylpiperidin-4-yl)acetaldehyde
CID 59311929
1-(propylamino)cyclopropane-1-carbaldehyde
CID 174589719
3-(2-propyl-1,3-diazinan-2-yl)propanal
CID 166921525

Frequently Asked Questions

What is the IUPAC name of butane;ethene;2-methylazetidine-2-carbaldehyde?
The IUPAC name of butane;ethene;2-methylazetidine-2-carbaldehyde (CID 143339554) is butane;ethene;2-methylazetidine-2-carbaldehyde.
What is the SMILES notation for butane;ethene;2-methylazetidine-2-carbaldehyde?
The canonical SMILES for butane;ethene;2-methylazetidine-2-carbaldehyde is C=C.CC1(C=O)CCN1.CCCC.
What is the InChIKey of butane;ethene;2-methylazetidine-2-carbaldehyde?
The InChIKey is IBVAJYVXWBBMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.C4H10.C2H4/c1-5(4-7)2-3-6-5;1-3-4-2;1-2/h4,6H,2-3H2,1H3;3-4H2,1-2H3;1-2H2.
What are the key properties of butane;ethene;2-methylazetidine-2-carbaldehyde?
butane;ethene;2-methylazetidine-2-carbaldehyde has a molecular weight of 185.31 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethene;2-methylazetidine-2-carbaldehyde is sourced from PubChem (CID 143339554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).